(1S,6R)-6-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(4-bromo-2-fluoro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(4-bromo-2-fluoroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(4-bromo-2-fluorophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(4-bromo-2-fluoro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C14H12BrFNO3- MolecularWeight: 341.152383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrFNO3/c15-8-5-6-12(11(16)7-8)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