ethyl (1R,2S)-2-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-(6-chloranylpyridin-3-yl)-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: ethyl (1R,2S)-2-(6-chloro-3-pyridyl)-4-oxo-cyclohexanecarboxylate CAS Name: (1R,2S)-2-(6-chloro-3-pyridinyl)-4-oxo-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-(6-chloropyridin-3-yl)-4-oxocyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-(6-chloro-3-pyridyl)-4-keto-cyclohexanecarboxylic acid ethyl ester Formula: C14H16ClNO3 MolecularWeight: 281.73474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(=O)CC1C2=CN=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)[C@@H]1CCC(=O)C[C@@H]1C2=CN=C(C=C2)Cl

InChI

InChI=1S/C14H16ClNO3/c1-2-19-14(18)11-5-4-10(17)7-12(11)9-3-6-13(15)16-8-9/h3,6,8,11-12H,2,4-5,7H2,1H3/t11-,12-/m1/s1