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

Systemtic Name: 4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butanoate Openeye Name: 4-oxo-4-(2,4,6-trimethylanilino)butanoate CAS Name: 4-oxo-4-(2,4,6-trimethylanilino)butanoate IUPAC Name: 4-oxo-4-(2,4,6-trimethylanilino)butanoate Traditional Name: 4-keto-4-mesidino-butyrate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-8-6-9(2)13(10(3)7-8)14-11(15)4-5-12(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)/p-1