1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid Formula: C15H15N3O4 MolecularWeight: 301.2973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O4/c1-21-12-5-4-10(8-13(12)22-2)14-11(15(19)20)9-18(17-14)7-3-6-16/h4-5,8-9H,3,7H2,1-2H3,(H,19,20)