(1R,6R)-6-[(3-chloranylpyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6R)-6-[(3-chloranylpyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6R)-6-[(3-chloro-2-pyridyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6R)-6-[[(3-chloro-2-pyridinyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6R)-6-[(3-chloropyridin-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6R)-6-[(3-chloro-2-pyridyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CC=N2)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H13ClN2O3/c14-10-6-3-7-15-11(10)16-12(17)8-4-1-2-5-9(8)13(18)19/h1-3,6-9H,4-5H2,(H,18,19)(H,15,16,17)/t8-,9-/m1/s1