(1S,6S)-6-[(5-chloranylpyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6S)-6-[(5-chloranylpyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-6-[(5-chloro-2-pyridyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-[[(5-chloro-2-pyridinyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-6-[(5-chloropyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-[(5-chloro-2-pyridyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C13H12ClN2O3- MolecularWeight: 279.69898

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@H]1C(=O)NC2=NC=C(C=C2)Cl)C(=O)[O-]

InChI

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