diethyl 1-(1-ethoxy-3-ethoxycarbonyl-1-oxidanylidene-4,4-diphenyl-but-3-en-2-yl)-5-phenyl-pyrazole-3,4-dicarboxylate

Systemtic Name: diethyl 1-(1-ethoxy-3-ethoxycarbonyl-1-oxidanylidene-4,4-diphenyl-but-3-en-2-yl)-5-phenyl-pyrazole-3,4-dicarboxylate Openeye Name: diethyl 1-[1,2-bis(ethoxycarbonyl)-3,3-diphenyl-allyl]-5-phenyl-pyrazole-3,4-dicarboxylate CAS Name: 1-(1-ethoxy-3-ethoxycarbonyl-1-oxo-4,4-diphenylbut-3-en-2-yl)-5-phenylpyrazole-3,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(1-ethoxy-3-ethoxycarbonyl-1-oxo-4,4-diphenylbut-3-en-2-yl)-5-phenylpyrazole-3,4-dicarboxylate Traditional Name: 1-(1,2-dicarbethoxy-3,3-diphenyl-allyl)-5-phenyl-pyrazole-3,4-dicarboxylic acid diethyl ester Formula: C36H36N2O8 MolecularWeight: 624.67964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)OCC)C(C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC)C(=O)OCC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)OCC)C(C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC)C(=O)OCC)C4=CC=CC=C4

InChI

InChI=1S/C36H36N2O8/c1-5-43-33(39)28(27(24-18-12-9-13-19-24)25-20-14-10-15-21-25)32(36(42)46-8-4)38-31(26-22-16-11-17-23-26)29(34(40)44-6-2)30(37-38)35(41)45-7-3/h9-23,32H,5-8H2,1-4H3