(1S,6R)-6-[[2-(2-chlorophenyl)carbonyl-4-nitro-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-[[2-(2-chlorophenyl)carbonyl-4-nitro-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[2-(2-chlorobenzoyl)-4-nitro-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[2-[(2-chlorophenyl)-oxomethyl]-4-nitroanilino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[2-(2-chlorobenzoyl)-4-nitrophenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[2-(2-chlorobenzoyl)-4-nitro-phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C21H16ClN2O6- MolecularWeight: 427.81454

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl)C(=O)[O-]

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl)C(=O)[O-]

InChI

InChI=1S/C21H17ClN2O6/c22-17-8-4-3-7-15(17)19(25)16-11-12(24(29)30)9-10-18(16)23-20(26)13-5-1-2-6-14(13)21(27)28/h1-4,7-11,13-14H,5-6H2,(H,23,26)(H,27,28)/p-1/t13-,14+/m1/s1