dimethyl 5-dimethoxyphosphoryl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl 5-dimethoxyphosphoryl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-3,4-dicarboxylate Openeye Name: dimethyl 5-dimethoxyphosphoryl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-3,4-dicarboxylate CAS Name: 5-dimethoxyphosphoryl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-dimethoxyphosphoryl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-3,4-dicarboxylate Traditional Name: 5-dimethoxyphosphoryl-5-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrazole-3,4-dicarboxylic acid dimethyl ester Formula: C19H21N2O7P MolecularWeight: 420.353001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=NC1(C=CC=CC2=CC=CC=C2)P(=O)(OC)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N=NC1(/C=C/C=C/C2=CC=CC=C2)P(=O)(OC)OC)C(=O)OC

InChI

InChI=1S/C19H21N2O7P/c1-25-17(22)15-16(18(23)26-2)20-21-19(15,29(24,27-3)28-4)13-9-8-12-14-10-6-5-7-11-14/h5-13H,1-4H3/b12-8+,13-9+