(1S,6S)-4-chloranyl-6-(pyridin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-4-chloranyl-6-(pyridin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-4-chloro-6-(2-pyridylcarbamoyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-chloro-6-[oxo-(2-pyridinylamino)methyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-4-chloro-6-(pyridin-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-chloro-6-(2-pyridylcarbamoyl)cyclohex-3-ene-1-carboxylate Formula: C13H12ClN2O3- MolecularWeight: 279.69898

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C(=O)[O-])C(=O)NC2=CC=CC=N2)Cl

Isomeric SMILES

C1C=C(C[C@@H]([C@H]1C(=O)[O-])C(=O)NC2=CC=CC=N2)Cl

InChI

InChI=1S/C13H13ClN2O3/c14-8-4-5-9(13(18)19)10(7-8)12(17)16-11-3-1-2-6-15-11/h1-4,6,9-10H,5,7H2,(H,18,19)(H,15,16,17)/p-1/t9-,10-/m0/s1