4-[[4-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-[(4-chlorophenyl)-oxomethyl]-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid IUPAC Name: 4-[[4-(4-chlorobenzoyl)-2-oxo-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-(4-chlorobenzoyl)-2-keto-3,5-dihydro-1,4-benzodiazepin-1-yl]methyl]benzoic acid Formula: C24H19ClN2O4 MolecularWeight: 434.87166

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2N(C(=O)CN1C(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2N(C(=O)CN1C(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H19ClN2O4/c25-20-11-9-17(10-12-20)23(29)26-14-19-3-1-2-4-21(19)27(22(28)15-26)13-16-5-7-18(8-6-16)24(30)31/h1-12H,13-15H2,(H,30,31)