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

Systemtic Name: 9-(3-methoxy-4-nitro-phenyl)-3-(2-methyl-1-oxidanyl-propan-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-(2-hydroxy-1,1-dimethyl-ethyl)-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 3-(1-hydroxy-2-methylpropan-2-yl)-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-(1-hydroxy-2-methylpropan-2-yl)-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-(2-hydroxy-1,1-dimethyl-ethyl)-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)C(=O)N2

Isomeric SMILES

CC(C)(CO)C1=CC2=C(C=C1)NC3=C(C=CC(=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)C(=O)N2

InChI

InChI=1S/C24H23N3O5/c1-24(2,13-28)16-6-8-18-20(12-16)26-23(29)17-7-4-14(10-19(17)25-18)15-5-9-21(27(30)31)22(11-15)32-3/h4-12,25,28H,13H2,1-3H3,(H,26,29)