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

Systemtic Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-oxidanyl-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 2-hydroxy-3-methoxy-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 2-hydroxy-3-methoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 2-hydroxy-3-methoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 2-hydroxy-3-methoxy-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C21H17N3O6 MolecularWeight: 407.37618

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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)O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6/c1-29-19-8-12(4-6-17(19)24(27)28)11-3-5-13-14(7-11)22-15-9-18(25)20(30-2)10-16(15)23-21(13)26/h3-10,22,25H,1-2H3,(H,23,26)