AC1MJW3B

17-(4-bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde

Also Known As: BAS 00801576|AG-690/12134034|17-(4-bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde (non-preferred name)|13-(4-bromo-2-nitrophenyl)-12,14-dioxo-10,11,12,13,14,15-hexahydro-9H-9,10-[3,4]epipyrroloanthracene-9-carbaldehyde|17-(4-Bromo-2-nitrophenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde|17-(4-bromo-2-nitrophenyl)-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-hexaenecarbaldehyde|17-{4-bromo-2-[hydroxy(oxido)amino]phenyl}-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde

Molecular Formula	C25H15BrN2O5
Molecular Weight	502.01642 g/mol
LogP	4.107
Topological Polar Surface Area	97.59 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	502.01642
Monoisotopic Mass	502.01642
Heavy Atoms	33
Complexity	1369.9111

Chemical Identifiers

CAS Number	332018-10-7
SMILES	C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=O)C(=O)N(C4=O)C6=C(C=C(C=C6)Br)[N+](=O)[O-]