ethyl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid ethyl ester Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CCC#N

Isomeric SMILES

CCOC(=O)C1=CN(N=C1C2=CC(=C(C=C2)OC)OC)CCC#N

InChI

InChI=1S/C17H19N3O4/c1-4-24-17(21)13-11-20(9-5-8-18)19-16(13)12-6-7-14(22-2)15(10-12)23-3/h6-7,10-11H,4-5,9H2,1-3H3