5-(3-cyanophenoxy)-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 5-(3-cyanophenoxy)-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: 5-(3-cyanophenoxy)-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-(3-cyanophenoxy)-1,3-dimethyl-4-pyrazolecarboxylate IUPAC Name: 5-(3-cyanophenoxy)-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-(3-cyanophenoxy)-1,3-dimethyl-pyrazole-4-carboxylate Formula: C13H10N3O3- MolecularWeight: 256.2368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)[O-])OC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)[O-])OC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C13H11N3O3/c1-8-11(13(17)18)12(16(2)15-8)19-10-5-3-4-9(6-10)7-14/h3-6H,1-2H3,(H,17,18)/p-1