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

Systemtic Name: 9-(3-methoxy-4-nitro-phenyl)-3-(2-oxidanylpropan-2-yl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Openeye Name: 3-(1-hydroxy-1-methyl-ethyl)-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one CAS Name: 3-(2-hydroxypropan-2-yl)-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one IUPAC Name: 3-(2-hydroxypropan-2-yl)-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Traditional Name: 3-(1-hydroxy-1-methyl-ethyl)-9-(3-methoxy-4-nitro-phenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-23(2,28)15-6-8-17-19(12-15)25-22(27)16-7-4-13(10-18(16)24-17)14-5-9-20(26(29)30)21(11-14)31-3/h4-12,24,28H,1-3H3,(H,25,27)