5-[4-(cyanomethyl)phenoxy]-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: 5-[4-(cyanomethyl)phenoxy]-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: 5-[4-(cyanomethyl)phenoxy]-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-[4-(cyanomethyl)phenoxy]-1,3-dimethyl-4-pyrazolecarboxylate IUPAC Name: 5-[4-(cyanomethyl)phenoxy]-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-[4-(cyanomethyl)phenoxy]-1,3-dimethyl-pyrazole-4-carboxylate Formula: C14H12N3O3- MolecularWeight: 270.26338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c1-9-12(14(18)19)13(17(2)16-9)20-11-5-3-10(4-6-11)7-8-15/h3-6H,7H2,1-2H3,(H,18,19)/p-1