4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2,6-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(2,6-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(2,6-dimethylanilino)-4-oxobutanoate IUPAC Name: 4-(2,6-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(2,6-dimethylanilino)-4-keto-butyrate Formula: C12H14NO3- MolecularWeight: 220.24446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C12H15NO3/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)/p-1