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

Systemtic Name: potassium 3-cyano-4-methylperoxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]butanoate Openeye Name: potassium 3-cyano-4-methylperoxy-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]butanoate CAS Name: potassium 3-cyano-4-methyldioxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]butanoate IUPAC Name: potassium 3-cyano-4-methylperoxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]butanoate Traditional Name: potassium 3-cyano-4-methylperoxy-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]butyrate Formula: C15H15KN4O4 MolecularWeight: 354.4023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=N2)C(C(COOC)C#N)C(=O)[O-].[K+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=N2)C(C(COOC)C#N)C(=O)[O-].[K+]

InChI

InChI=1S/C15H16N4O4.K/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);/q;+1/p-1