5-[(4-chloranyl-2-cyano-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(4-chloranyl-2-cyano-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-(4-chloro-2-cyano-anilino)-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-(4-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-(4-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-(4-chloro-2-cyano-anilino)-5-keto-3,3-dimethyl-valerate Formula: C14H14ClN2O3- MolecularWeight: 293.72556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1=C(C=C(C=C1)Cl)C#N)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1=C(C=C(C=C1)Cl)C#N)CC(=O)[O-]

InChI

InChI=1S/C14H15ClN2O3/c1-14(2,7-13(19)20)6-12(18)17-11-4-3-10(15)5-9(11)8-16/h3-5H,6-7H2,1-2H3,(H,17,18)(H,19,20)/p-1