4-[(6S,9R)-6-(4-fluorophenyl)-9-(3-nitrophenyl)-7-oxidanylidene-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(6S,9R)-6-(4-fluorophenyl)-9-(3-nitrophenyl)-7-oxidanylidene-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(6S,9R)-6-(4-fluorophenyl)-9-(3-nitrophenyl)-7-oxo-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[(6S,9R)-6-(4-fluorophenyl)-9-(3-nitrophenyl)-7-oxo-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[(6S,9R)-6-(4-fluorophenyl)-9-(3-nitrophenyl)-7-oxo-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[(6S,9R)-6-(4-fluorophenyl)-7-keto-9-(3-nitrophenyl)-6a,8,9,10-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-keto-butyric acid Formula: C29H24FN3O6 MolecularWeight: 529.515763

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2C1=NC3=CC=CC=C3N(C2C4=CC=C(C=C4)F)C(=O)CCC(=O)O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](CC(=O)C2C1=NC3=CC=CC=C3N([C@@H]2C4=CC=C(C=C4)F)C(=O)CCC(=O)O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H24FN3O6/c30-20-10-8-17(9-11-20)29-28-23(15-19(16-25(28)34)18-4-3-5-21(14-18)33(38)39)31-22-6-1-2-7-24(22)32(29)26(35)12-13-27(36)37/h1-11,14,19,28-29H,12-13,15-16H2,(H,36,37)/t19-,28?,29-/m1/s1