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

Systemtic Name: 9-(3-methoxy-4-oxidanyl-phenyl)-3-nitro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 9-(4-hydroxy-3-methoxy-phenyl)-3-nitro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 9-(4-hydroxy-3-methoxyphenyl)-3-nitro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 9-(4-hydroxy-3-methoxyphenyl)-3-nitro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 9-(4-hydroxy-3-methoxy-phenyl)-3-nitro-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C20H15N3O5 MolecularWeight: 377.3502

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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=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O5/c1-28-19-9-12(3-7-18(19)24)11-2-5-14-16(8-11)21-15-6-4-13(23(26)27)10-17(15)22-20(14)25/h2-10,21,24H,1H3,(H,22,25)