5-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: 5-(2-chloro-4,6-dimethyl-anilino)-5-oxo-pentanoate CAS Name: 5-(2-chloro-4,6-dimethylanilino)-5-oxopentanoate IUPAC Name: 5-(2-chloro-4,6-dimethylanilino)-5-oxopentanoate Traditional Name: 5-(2-chloro-4,6-dimethyl-anilino)-5-keto-valerate Formula: C13H15ClNO3- MolecularWeight: 268.7161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3/c1-8-6-9(2)13(10(14)7-8)15-11(16)4-3-5-12(17)18/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,18)/p-1