(1S,6R)-6-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(4-fluoro-3-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(4-fluoro-3-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(4-fluoro-3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(4-fluoro-3-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H13FN2O5 MolecularWeight: 308.261823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN2O5/c15-11-6-5-8(7-12(11)17(21)22)16-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,16,18)(H,19,20)/t9-,10+/m1/s1