methyl 4-cyano-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-cyano-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-cyano-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-cyano-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-1-phenylpyrazole-3-carboxylate Traditional Name: 4-cyano-1-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C=C1C#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NN(C=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C12H9N3O2/c1-17-12(16)11-9(7-13)8-15(14-11)10-5-3-2-4-6-10/h2-6,8H,1H3