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

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: (4-formyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-phenyl-4-pyrazolecarboxylic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid (4-formyl-2-methoxy-phenyl) ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H17N3O4/c1-27-19-12-15(14-25)8-9-18(19)28-21(26)17-13-24(11-5-10-22)23-20(17)16-6-3-2-4-7-16/h2-4,6-9,12-14H,5,11H2,1H3