1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-3-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O2/c14-7-4-8-16-9-11(13(17)18)12(15-16)10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2,(H,17,18)