ethanoic acid; 3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid

Systemtic Name: ethanoic acid; 3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Openeye Name: acetic acid; 3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid CAS Name: acetic acid; 3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid IUPAC Name: acetic acid; 3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Traditional Name: acetic acid; 3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepine-7-carboxylic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)O.C1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3.C2H4O2/c21-17-11-19-16-7-6-14(18(22)23)10-15(16)12-20(17)9-8-13-4-2-1-3-5-13;1-2(3)4/h1-7,10,19H,8-9,11-12H2,(H,22,23);1H3,(H,3,4)