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

Systemtic Name: 5-[(2,4-dimethylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-(2,4-dimethylanilino)-5-oxo-pentanoate CAS Name: 5-(2,4-dimethylanilino)-5-oxopentanoate IUPAC Name: 5-(2,4-dimethylanilino)-5-oxopentanoate Traditional Name: 5-(2,4-dimethylanilino)-5-keto-valerate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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