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

Systemtic Name: 3-methoxy-9-(3-methoxy-4-nitro-phenyl)-2-(3-methyl-3-oxidanyl-butyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 2-(3-hydroxy-3-methyl-butyl)-3-methoxy-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 2-(3-hydroxy-3-methylbutyl)-3-methoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 2-(3-hydroxy-3-methylbutyl)-3-methoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 2-(3-hydroxy-3-methyl-butyl)-3-methoxy-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C26H27N3O6 MolecularWeight: 477.50908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1=CC2=C(C=C1OC)NC(=O)C3=C(N2)C=C(C=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)O

Isomeric SMILES

CC(C)(CCC1=CC2=C(C=C1OC)NC(=O)C3=C(N2)C=C(C=C3)C4=CC(=C(C=C4)[N+](=O)[O-])OC)O

InChI

InChI=1S/C26H27N3O6/c1-26(2,31)10-9-17-12-20-21(14-23(17)34-3)28-25(30)18-7-5-15(11-19(18)27-20)16-6-8-22(29(32)33)24(13-16)35-4/h5-8,11-14,27,31H,9-10H2,1-4H3,(H,28,30)