5-[(2-ethyl-6-methyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(2-ethyl-6-methyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-(2-ethyl-6-methyl-anilino)-5-oxo-pentanoate CAS Name: 5-(2-ethyl-6-methylanilino)-5-oxopentanoate IUPAC Name: 5-(2-ethyl-6-methylanilino)-5-oxopentanoate Traditional Name: 5-(2-ethyl-6-methyl-anilino)-5-keto-valerate Formula: C14H18NO3- MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CCCC(=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C14H19NO3/c1-3-11-7-4-6-10(2)14(11)15-12(16)8-5-9-13(17)18/h4,6-7H,3,5,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1