(1R,6S)-4-chloranyl-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-4-chloranyl-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-4-chloro-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-4-chloro-6-[(3-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-4-chloro-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-4-chloro-6-[(3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H13ClN2O5 MolecularWeight: 324.71642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O5/c15-8-4-5-11(14(19)20)12(6-8)13(18)16-9-2-1-3-10(7-9)17(21)22/h1-4,7,11-12H,5-6H2,(H,16,18)(H,19,20)/t11-,12+/m1/s1