3-cyano-4-methylperoxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]butanoic acid

Systemtic Name: 3-cyano-4-methylperoxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]butanoic acid Openeye Name: 3-cyano-4-methylperoxy-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]butanoic acid CAS Name: 3-cyano-4-methyldioxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]butanoic acid IUPAC Name: 3-cyano-4-methylperoxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]butanoic acid Traditional Name: 3-cyano-4-methylperoxy-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]butyric acid Formula: C15H16N4O4 MolecularWeight: 316.31194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=N2)C(C(COOC)C#N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=N2)C(C(COOC)C#N)C(=O)O

InChI

InChI=1S/C15H16N4O4/c1-9-3-5-10(6-4-9)13-17-14(19-18-13)12(15(20)21)11(7-16)8-23-22-2/h3-6,11-12H,8H2,1-2H3,(H,20,21)(H,17,18,19)