4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-(3,5-dimethylanilino)-4-oxo-butanoate CAS Name: 4-(3,5-dimethylanilino)-4-oxobutanoate IUPAC Name: 4-(3,5-dimethylanilino)-4-oxobutanoate Traditional Name: 4-(3,5-dimethylanilino)-4-keto-butyrate Formula: C12H14NO3- MolecularWeight: 220.24446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)/p-1