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

Systemtic Name: potassium 3-cyano-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-4-methylperoxy-butanoate Openeye Name: potassium 3-cyano-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-4-methylperoxy-butanoate CAS Name: potassium 3-cyano-4-methyldioxy-2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]butanoate IUPAC Name: potassium 3-cyano-2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-4-methylperoxybutanoate Traditional Name: potassium 3-cyano-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-4-methylperoxy-butyrate Formula: C15H14KN5O6 MolecularWeight: 399.39986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O6.K/c1-8-3-4-9(5-11(8)20(23)24)13-17-14(19-18-13)12(15(21)22)10(6-16)7-26-25-2;/h3-5,10,12H,7H2,1-2H3,(H,21,22)(H,17,18,19);/q;+1/p-1