2-azanyl-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

Systemtic Name: 2-azanyl-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 2-amino-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 2-amino-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 2-amino-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 2-amino-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=C(C=C4)N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=C(N3)C=C(C=C4)N)[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4/c1-28-19-9-12(3-7-18(19)24(26)27)11-2-5-14-16(8-11)22-17-10-13(21)4-6-15(17)23-20(14)25/h2-10,22H,21H2,1H3,(H,23,25)