4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-ethyl-6-methyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-ethyl-6-methylanilino)-4-oxobutanoic acid IUPAC Name: 4-(2-ethyl-6-methylanilino)-4-oxobutanoic acid Traditional Name: 4-(2-ethyl-6-methyl-anilino)-4-keto-butyric acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCC(=O)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCC(=O)O)C

InChI

InChI=1S/C13H17NO3/c1-3-10-6-4-5-9(2)13(10)14-11(15)7-8-12(16)17/h4-6H,3,7-8H2,1-2H3,(H,14,15)(H,16,17)