methyl 1-cyano-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-cyano-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 1-cyano-4-oxo-cyclohexanecarboxylate CAS Name: 1-cyano-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-cyano-4-oxocyclohexane-1-carboxylate Traditional Name: 1-cyano-4-keto-cyclohexanecarboxylic acid methyl ester Formula: C9H11NO3 MolecularWeight: 181.18854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCC(=O)CC1)C#N

Isomeric SMILES

COC(=O)C1(CCC(=O)CC1)C#N

InChI

InChI=1S/C9H11NO3/c1-13-8(12)9(6-10)4-2-7(11)3-5-9/h2-5H2,1H3