5-ethanoyl-6-(3-nitrophenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 5-ethanoyl-6-(3-nitrophenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-6-(3-nitrophenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-6-(3-nitrophenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-6-(3-nitrophenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-6-(3-nitrophenyl)-9-phenyl-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O4/c1-17(31)29-24-13-6-5-12-22(24)28-23-15-20(18-8-3-2-4-9-18)16-25(32)26(23)27(29)19-10-7-11-21(14-19)30(33)34/h2-15,20,26-28H,16H2,1H3