ethyl 1-cyano-4-(4-nitrophenyl)-3-(4-nitrophenyl)carbonyl-4-oxidanyl-2,6-diphenyl-cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-cyano-4-(4-nitrophenyl)-3-(4-nitrophenyl)carbonyl-4-oxidanyl-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: ethyl 1-cyano-4-hydroxy-3-(4-nitrobenzoyl)-4-(4-nitrophenyl)-2,6-diphenyl-cyclohexanecarboxylate CAS Name: 1-cyano-4-hydroxy-4-(4-nitrophenyl)-3-[(4-nitrophenyl)-oxomethyl]-2,6-diphenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-4-hydroxy-3-(4-nitrobenzoyl)-4-(4-nitrophenyl)-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: 1-cyano-4-hydroxy-3-(4-nitrobenzoyl)-4-(4-nitrophenyl)-2,6-diphenyl-cyclohexanecarboxylic acid ethyl ester Formula: C35H29N3O8 MolecularWeight: 619.62006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)[N+](=O)[O-])O)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)[N+](=O)[O-])O)C5=CC=CC=C5)C#N

InChI

InChI=1S/C35H29N3O8/c1-2-46-33(40)34(22-36)29(23-9-5-3-6-10-23)21-35(41,26-15-19-28(20-16-26)38(44)45)31(30(34)24-11-7-4-8-12-24)32(39)25-13-17-27(18-14-25)37(42)43/h3-20,29-31,41H,2,21H2,1H3