5-cyano-5-(2-methylphenyl)-2-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: 5-cyano-5-(2-methylphenyl)-2-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: 5-cyano-5-(o-tolyl)-2-oxo-cyclohexanecarboxylic acid CAS Name: 5-cyano-5-(2-methylphenyl)-2-oxo-1-cyclohexanecarboxylic acid IUPAC Name: 5-cyano-5-(2-methylphenyl)-2-oxocyclohexane-1-carboxylic acid Traditional Name: 5-cyano-2-keto-5-(o-tolyl)cyclohexanecarboxylic acid Formula: C15H15NO3 MolecularWeight: 257.2845

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(CCC(=O)C(C2)C(=O)O)C#N

Isomeric SMILES

CC1=CC=CC=C1C2(CCC(=O)C(C2)C(=O)O)C#N

InChI

InChI=1S/C15H15NO3/c1-10-4-2-3-5-12(10)15(9-16)7-6-13(17)11(8-15)14(18)19/h2-5,11H,6-8H2,1H3,(H,18,19)