carboxy 2-[(4-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: carboxy 2-[(4-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: carboxy 2-[(4-cyanophenyl)methyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 2-[(4-cyanophenyl)methyl]-5-methyl-3-pyrazolecarboxylic acid carboxy ester IUPAC Name: carboxy 2-[(4-cyanophenyl)methyl]-5-methylpyrazole-3-carboxylate Traditional Name: 2-(4-cyanobenzyl)-5-methyl-pyrazole-3-carboxylic acid carboxy ester Formula: C14H11N3O4 MolecularWeight: 285.25484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O4/c1-9-6-12(13(18)21-14(19)20)17(16-9)8-11-4-2-10(7-15)3-5-11/h2-6H,8H2,1H3,(H,19,20)