1-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C(=O)O

InChI

InChI=1S/C16H17ClN2O3/c17-13-8-12(5-4-11(13)10-18)19-14(20)9-16(15(21)22)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,19,20)(H,21,22)