8,9-diethoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Systemtic Name: 8,9-diethoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Openeye Name: 8,9-diethoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine CAS Name: 8,9-diethoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine IUPAC Name: 8,9-diethoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Traditional Name: 8,9-diethoxy-4-(3-nitrophenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=CC=C4)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CNC(C3=CC=CN32)C4=CC(=CC=C4)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H23N3O4/c1-3-28-20-12-16-14-23-22(15-7-5-8-17(11-15)25(26)27)18-9-6-10-24(18)19(16)13-21(20)29-4-2/h5-13,22-23H,3-4,14H2,1-2H3