4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,5-dimethylanilino)-4-oxo-butanoic acid CAS Name: 4-(2,5-dimethylanilino)-4-oxobutanoic acid IUPAC Name: 4-(2,5-dimethylanilino)-4-oxobutanoic acid Traditional Name: 4-(2,5-dimethylanilino)-4-keto-butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)O

InChI

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