4-(cyanomethoxy)-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-(cyanomethoxy)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-(cyanomethoxy)-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-(cyanomethoxy)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-(cyanomethoxy)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-(cyanomethoxy)-1-phenyl-pyrazole-3-carboxylic acid Formula: C12H9N3O3 MolecularWeight: 243.21816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)OCC#N

InChI

InChI=1S/C12H9N3O3/c13-6-7-18-10-8-15(14-11(10)12(16)17)9-4-2-1-3-5-9/h1-5,8H,7H2,(H,16,17)