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

Systemtic Name: (1S,6S)-4-chloranyl-6-[(4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6S)-4-chloro-6-[(4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-4-chloro-6-[(4-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6S)-4-chloro-6-[(4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-4-chloro-6-[(4-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C14H12ClN2O5- MolecularWeight: 323.70848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O5/c15-8-1-6-11(14(19)20)12(7-8)13(18)16-9-2-4-10(5-3-9)17(21)22/h1-5,11-12H,6-7H2,(H,16,18)(H,19,20)/p-1/t11-,12-/m0/s1