1-[(3-cyanophenyl)methyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(3-cyanophenyl)methyl]pyrazole-4-carboxylic acid Openeye Name: 1-[(3-cyanophenyl)methyl]pyrazole-4-carboxylic acid CAS Name: 1-[(3-cyanophenyl)methyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(3-cyanophenyl)methyl]pyrazole-4-carboxylic acid Traditional Name: 1-(3-cyanobenzyl)pyrazole-4-carboxylic acid Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C=N2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C=N2)C(=O)O)C#N

InChI

InChI=1S/C12H9N3O2/c13-5-9-2-1-3-10(4-9)7-15-8-11(6-14-15)12(16)17/h1-4,6,8H,7H2,(H,16,17)