(1S,6R)-6-[(2-chloranyl-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[(2-chloranyl-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[(2-chloro-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(2-chloro-5-nitroanilino)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[(2-chloro-5-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[(2-chloro-5-nitro-phenyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C14H12ClN2O5- MolecularWeight: 323.70848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O5/c15-11-6-5-8(17(21)22)7-12(11)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)/p-1/t9-,10+/m1/s1