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

Systemtic Name: (1S,2R,5R,6S)-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]-2,5-diphenyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,2R,5R,6S)-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]-2,5-diphenyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R,5R,6S)-6-[(2-methoxy-5-nitroanilino)-oxomethyl]-2,5-diphenyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,2R,5R,6S)-6-[(2-methoxy-5-nitrophenyl)carbamoyl]-2,5-diphenylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R,5R,6S)-6-[(2-methoxy-5-nitro-phenyl)carbamoyl]-2,5-diphenyl-cyclohex-3-ene-1-carboxylate Formula: C27H23N2O6- MolecularWeight: 471.48132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2C(C=CC(C2C(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)[C@H]2[C@@H](C=C[C@H]([C@@H]2C(=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O6/c1-35-23-15-12-19(29(33)34)16-22(23)28-26(30)24-20(17-8-4-2-5-9-17)13-14-21(25(24)27(31)32)18-10-6-3-7-11-18/h2-16,20-21,24-25H,1H3,(H,28,30)(H,31,32)/p-1/t20-,21-,24-,25-/m0/s1