9-(3,4-dimethoxyphenyl)-5-ethanoyl-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(3,4-dimethoxyphenyl)-5-ethanoyl-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-acetyl-9-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 5-acetyl-9-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-acetyl-9-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-acetyl-9-(3,4-dimethoxyphenyl)-6-(3-nitrophenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C29H27N3O6 MolecularWeight: 513.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H27N3O6/c1-17(33)31-24-10-5-4-9-22(24)30-23-14-20(18-11-12-26(37-2)27(16-18)38-3)15-25(34)28(23)29(31)19-7-6-8-21(13-19)32(35)36/h4-13,16,20,29-30H,14-15H2,1-3H3