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

Systemtic Name: potassium 3-cyano-4-methoxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]-4-oxidanylidene-butanoate Openeye Name: potassium 3-cyano-4-methoxy-4-oxo-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]butanoate CAS Name: potassium 3-cyano-4-methoxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]-4-oxobutanoate IUPAC Name: potassium 3-cyano-4-methoxy-2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]-4-oxobutanoate Traditional Name: potassium 3-cyano-4-keto-4-methoxy-2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]butyrate Formula: C15H13KN4O4 MolecularWeight: 352.38642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N4O4.K/c1-8-3-5-9(6-4-8)12-17-13(19-18-12)11(14(20)21)10(7-16)15(22)23-2;/h3-6,10-11H,1-2H3,(H,20,21)(H,17,18,19);/q;+1/p-1