ChemDiv1_021528

2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid

Also Known As: ChemDiv1_021528|Oprea1_336476|CBDivE_003440|2'-nitrobiphenyl-4-yl benzoate|HMS648C12|KST-1A6872|RCL L261793|KS-0000332L|BAS 04443151|(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid|1R-1166|SR-01000432944-1|F0827-0031|(16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid (non-preferred name)|2-[16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl]acetic acid|2-(12,14-dioxo-9,10-dihydro-9,10-[3,4]epipyrroloanthracen-13-yl)acetic acid|(16,18-Dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid|(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonade|2-(16,18-Dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetic acid|2-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetic acid|[[9,10,11,12,14,15-Hexahydro-12,14-dioxo-9,10-[3,4]-endo-[1H]pyrroloanthracen]-13-yl]acetic acid|{16,18-dioxo-17-azapentacyclo[6.6.5.0(2),?.0?,(1)?.0(1)?,(1)?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetic acid|2-(12,14-dioxo-11,12,14,15-tetrahydro-9H-9,10-[3,4]epipyrroloanthracen-13(10H)-yl)acetic acid|2-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonadeca-2(7),3, 5,9(14),10,12-hexaen-17-yl)acetic acid|2-{16,18-dioxo-17-azapentacyclo[6.6.5.0^{2,7}.0^{9,14}.0^{15,19}]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}aceticacid|2-{16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl}acetic acid

Molecular Formula	C20H15NO4
Molecular Weight	333.1001 g/mol
LogP	1.8
Topological Polar Surface Area	74.7 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	333.1001
Monoisotopic Mass	333.1001
Heavy Atoms	25
Complexity	561.0

Chemical Identifiers

CAS Number	6331-86-8
SMILES	C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CC(=O)O
InChIKey	OWTGLTJTLFMMFW-UHFFFAOYSA-N