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

Systemtic Name: 1-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C(=O)O

InChI

InChI=1S/C17H19ClN2O3/c18-14-9-13(6-5-12(14)11-19)20-15(21)10-17(16(22)23)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,20,21)(H,22,23)