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

Systemtic Name: 5-[(4-chloranyl-2-cyano-phenyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-chloro-2-cyano-anilino)-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-(4-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-(4-chloro-2-cyanoanilino)-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-(4-chloro-2-cyano-anilino)-5-keto-3,3-dimethyl-valeric acid Formula: C14H15ClN2O3 MolecularWeight: 294.7335

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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)