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

Systemtic Name: 4-[(2-ethyl-6-methyl-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(2-ethyl-6-methyl-anilino)-4-oxo-butanoate CAS Name: 4-(2-ethyl-6-methylanilino)-4-oxobutanoate IUPAC Name: 4-(2-ethyl-6-methylanilino)-4-oxobutanoate Traditional Name: 4-(2-ethyl-6-methyl-anilino)-4-keto-butyrate Formula: C13H16NO3- MolecularWeight: 234.27104

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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)/p-1