(4-methanoyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Openeye Name: (4-formyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolecarboxylic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid (4-formyl-2-methoxy-phenyl) ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC3=C(C=C(C=C3)C=O)OC)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OC3=C(C=C(C=C3)C=O)OC)CCC#N)OC

InChI

InChI=1S/C23H21N3O6/c1-29-18-8-6-16(12-21(18)31-3)22-17(13-26(25-22)10-4-9-24)23(28)32-19-7-5-15(14-27)11-20(19)30-2/h5-8,11-14H,4,10H2,1-3H3