(1R,6R)-6-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6R)-6-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6R)-6-[(3-chloro-4-fluoro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-[(3-chloro-4-fluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6R)-6-[(3-chloro-4-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-[(3-chloro-4-fluoro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C14H12ClFNO3- MolecularWeight: 296.701383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClFNO3/c15-11-7-8(5-6-12(11)16)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)/p-1/t9-,10-/m1/s1