AC1NT6TU

6-[(3E)-2-(1,3-benzodioxol-5-yl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid

Also Known As: CBMicro_049708|BAS 02238840|BIM-0049869.P001|6-[(3E)-2-(1,3-benzodioxol-5-yl)-3-[hydroxy-(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]hexanoic acid|6-[2-(1,3-benzodioxol-5-yl)-4-hydroxy-3-(4-nitrobenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid|6-[2-(2H-1,3-BENZODIOXOL-5-YL)-4-HYDROXY-3-(4-NITROBENZOYL)-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL]HEXANOIC ACID|6-{(3E)-2-(2H-1,3-Benzodioxol-5-yl)-3-[hydroxy(4-nitrophenyl)methylidene]-4,5-dioxopyrrolidin-1-yl}hexanoic acid

Molecular Formula	C24H22N2O9
Molecular Weight	482.13254 g/mol
LogP	3.3902
Topological Polar Surface Area	156.51 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	482.13254
Monoisotopic Mass	482.13254
Heavy Atoms	35
Complexity	1220.0006

Chemical Identifiers

CAS Number	6040-65-9
SMILES	C1OC2=C(O1)C=C(C=C2)C3/C(=C(/C4=CC=C(C=C4)[N+](=O)[O-])\O)/C(=O)C(=O)N3CCCCCC(=O)O