2-(benzamidomethyl)-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(benzamidomethyl)-3-oxidanylidene-butanoic acid Openeye Name: 2-(benzamidomethyl)-3-oxo-butanoic acid CAS Name: 2-(benzamidomethyl)-3-oxobutanoic acid IUPAC Name: 2-(benzamidomethyl)-3-oxobutanoic acid Traditional Name: 2-(benzamidomethyl)-3-keto-butyric acid Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CNC(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)C(CNC(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H13NO4/c1-8(14)10(12(16)17)7-13-11(15)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,15)(H,16,17)