4-[(2-methoxy-5-methyl-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(2-methoxy-5-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-methylanilino)-4-oxobutanoate IUPAC Name: 4-(2-methoxy-5-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-methyl-anilino)butyrate Formula: C12H14NO4- MolecularWeight: 236.24386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-8-3-4-10(17-2)9(7-8)13-11(14)5-6-12(15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,16)/p-1