4-(4-methoxyphenyl)-3-(4-methoxyphenyl)carbonyl-2,6-bis(3-nitrophenyl)-4-oxidanyl-cyclohexane-1,1-dicarbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-3-(4-methoxyphenyl)carbonyl-2,6-bis(3-nitrophenyl)-4-oxidanyl-cyclohexane-1,1-dicarbonitrile Openeye Name: 4-hydroxy-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,6-bis(3-nitrophenyl)cyclohexane-1,1-dicarbonitrile CAS Name: 4-hydroxy-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)-oxomethyl]-2,6-bis(3-nitrophenyl)cyclohexane-1,1-dicarbonitrile IUPAC Name: 4-hydroxy-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,6-bis(3-nitrophenyl)cyclohexane-1,1-dicarbonitrile Traditional Name: 4-hydroxy-4-(4-methoxyphenyl)-2,6-bis(3-nitrophenyl)-3-p-anisoyl-cyclohexane-1,1-dicarbonitrile Formula: C35H28N4O8 MolecularWeight: 632.61882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2C(C(C(CC2(C3=CC=C(C=C3)OC)O)C4=CC(=CC=C4)[N+](=O)[O-])(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2C(C(C(CC2(C3=CC=C(C=C3)OC)O)C4=CC(=CC=C4)[N+](=O)[O-])(C#N)C#N)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C35H28N4O8/c1-46-28-13-9-22(10-14-28)33(40)32-31(24-6-4-8-27(18-24)39(44)45)34(20-36,21-37)30(23-5-3-7-26(17-23)38(42)43)19-35(32,41)25-11-15-29(47-2)16-12-25/h3-18,30-32,41H,19H2,1-2H3