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

Systemtic Name: 2,3-dimethoxy-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 2,3-dimethoxy-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 2,3-dimethoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 2,3-dimethoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 2,3-dimethoxy-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC(=C(C=C4N3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC3=C(C=C2)C(=O)NC4=CC(=C(C=C4N3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6/c1-29-19-9-13(5-7-18(19)25(27)28)12-4-6-14-15(8-12)23-16-10-20(30-2)21(31-3)11-17(16)24-22(14)26/h4-11,23H,1-3H3,(H,24,26)