2-cyano-2-(2-oxidanylidenecyclohexyl)ethanoic acid

Systemtic Name: 2-cyano-2-(2-oxidanylidenecyclohexyl)ethanoic acid Openeye Name: 2-cyano-2-(2-oxocyclohexyl)acetic acid CAS Name: 2-cyano-2-(2-oxocyclohexyl)acetic acid IUPAC Name: 2-cyano-2-(2-oxocyclohexyl)acetic acid Traditional Name: 2-cyano-2-(2-ketocyclohexyl)acetic acid Formula: C9H11NO3 MolecularWeight: 181.18854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C#N)C(=O)O

Isomeric SMILES

C1CCC(=O)C(C1)C(C#N)C(=O)O

InChI

InChI=1S/C9H11NO3/c10-5-7(9(12)13)6-3-1-2-4-8(6)11/h6-7H,1-4H2,(H,12,13)