(1R,6S)-6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[2-cyanoethyl(methyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[2-cyanoethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C12H15N2O3- MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1CC=CCC1C(=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-]

InChI

InChI=1S/C12H16N2O3/c1-14(8-4-7-13)11(15)9-5-2-3-6-10(9)12(16)17/h2-3,9-10H,4-6,8H2,1H3,(H,16,17)/p-1/t9-,10+/m0/s1