3-cyano-1-methyl-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-cyano-1-methyl-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-cyano-1-methyl-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-cyano-1-methyl-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-cyano-1-methyl-5-phenylpyrazole-4-carboxylic acid Traditional Name: 3-cyano-1-methyl-5-phenyl-pyrazole-4-carboxylic acid Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C#N)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=N1)C#N)C(=O)O)C2=CC=CC=C2

InChI

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