9,9-dimethyl-6-(3-nitrophenyl)-6,6a,8,10,10a,11-hexahydro-5H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9,9-dimethyl-6-(3-nitrophenyl)-6,6a,8,10,10a,11-hexahydro-5H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9,9-dimethyl-6-(3-nitrophenyl)-6,6a,8,10,10a,11-hexahydro-5H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9,9-dimethyl-6-(3-nitrophenyl)-6,6a,8,10,10a,11-hexahydro-5H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9,9-dimethyl-6-(3-nitrophenyl)-6,6a,8,10,10a,11-hexahydro-5H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9,9-dimethyl-6-(3-nitrophenyl)-6,6a,8,10,10a,11-hexahydro-5H-benzo[b][1,4]benzodiazepin-7-one Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2C(C(NC3=CC=CC=C3N2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C21H23N3O3/c1-21(2)11-17-19(18(25)12-21)20(13-6-5-7-14(10-13)24(26)27)23-16-9-4-3-8-15(16)22-17/h3-10,17,19-20,22-23H,11-12H2,1-2H3