ethyl 1-cyano-2,6-bis(3-nitrophenyl)-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1-carboxylate

Systemtic Name: ethyl 1-cyano-2,6-bis(3-nitrophenyl)-4-oxidanyl-4-phenyl-3-(phenylcarbonyl)cyclohexane-1-carboxylate Openeye Name: ethyl 3-benzoyl-1-cyano-4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenyl-cyclohexanecarboxylate CAS Name: 3-benzoyl-1-cyano-4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenyl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-cyano-4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenylcyclohexane-1-carboxylate Traditional Name: 3-benzoyl-1-cyano-4-hydroxy-2,6-bis(3-nitrophenyl)-4-phenyl-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)[N+](=O)[O-])C(=O)C3=CC=CC=C3)(C4=CC=CC=C4)O)C5=CC(=CC=C5)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

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