5-(cyanomethoxy)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: 5-(cyanomethoxy)-1-phenyl-pyrazole-4-carboxylate Openeye Name: 5-(cyanomethoxy)-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-(cyanomethoxy)-1-phenyl-4-pyrazolecarboxylate IUPAC Name: 5-(cyanomethoxy)-1-phenylpyrazole-4-carboxylate Traditional Name: 5-(cyanomethoxy)-1-phenyl-pyrazole-4-carboxylate Formula: C12H8N3O3- MolecularWeight: 242.21022

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