2-[(4-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 2-[(4-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 2-[(4-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 2-[(4-cyanophenyl)methyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 2-[(4-cyanophenyl)methyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 2-(4-cyanobenzyl)-5-methyl-pyrazole-3-carboxylic acid Formula: C13H11N3O2 MolecularWeight: 241.24534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)O)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C13H11N3O2/c1-9-6-12(13(17)18)16(15-9)8-11-4-2-10(7-14)3-5-11/h2-6H,8H2,1H3,(H,17,18)