2-[(3-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: 2-[(3-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: 2-[(3-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 2-[(3-cyanophenyl)methyl]-5-methyl-3-pyrazolecarboxylate IUPAC Name: 2-[(3-cyanophenyl)methyl]-5-methylpyrazole-3-carboxylate Traditional Name: 2-(3-cyanobenzyl)-5-methyl-pyrazole-3-carboxylate Formula: C13H10N3O2- MolecularWeight: 240.2374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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