4-(3-acetamidophenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-acetamidophenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-acetamidophenyl)-4-oxo-butanoic acid CAS Name: 4-(3-acetamidophenyl)-4-oxobutanoic acid IUPAC Name: 4-(3-acetamidophenyl)-4-oxobutanoic acid Traditional Name: 4-(3-acetamidophenyl)-4-keto-butyric acid Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)CCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)CCC(=O)O

InChI

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