diethyl (3E)-3-[ethoxy(oxidanyl)methylidene]-2-(3-nitrophenyl)-4-oxidanylidene-6-phenyl-cyclohexane-1,1-dicarboxylate

Systemtic Name: diethyl (3E)-3-[ethoxy(oxidanyl)methylidene]-2-(3-nitrophenyl)-4-oxidanylidene-6-phenyl-cyclohexane-1,1-dicarboxylate Openeye Name: diethyl (3E)-3-[ethoxy(hydroxy)methylene]-2-(3-nitrophenyl)-4-oxo-6-phenyl-cyclohexane-1,1-dicarboxylate CAS Name: (3E)-3-[ethoxy(hydroxy)methylidene]-2-(3-nitrophenyl)-4-oxo-6-phenylcyclohexane-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3E)-3-[ethoxy(hydroxy)methylidene]-2-(3-nitrophenyl)-4-oxo-6-phenylcyclohexane-1,1-dicarboxylate Traditional Name: (3E)-3-[ethoxy(hydroxy)methylene]-4-keto-2-(3-nitrophenyl)-6-phenyl-cyclohexane-1,1-dicarboxylic acid diethyl ester Formula: C27H29NO9 MolecularWeight: 511.52046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C1C(C(C(CC1=O)C2=CC=CC=C2)(C(=O)OCC)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CCO/C(=C/1\C(C(C(CC1=O)C2=CC=CC=C2)(C(=O)OCC)C(=O)OCC)C3=CC(=CC=C3)[N+](=O)[O-])/O

InChI

InChI=1S/C27H29NO9/c1-4-35-24(30)22-21(29)16-20(17-11-8-7-9-12-17)27(25(31)36-5-2,26(32)37-6-3)23(22)18-13-10-14-19(15-18)28(33)34/h7-15,20,23,30H,4-6,16H2,1-3H3/b24-22-