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

Systemtic Name: potassium 3-cyano-4-methoxy-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-4-oxidanylidene-butanoate Openeye Name: potassium 3-cyano-4-methoxy-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]-4-oxo-butanoate CAS Name: potassium 3-cyano-4-methoxy-2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-4-oxobutanoate IUPAC Name: potassium 3-cyano-4-methoxy-2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]-4-oxobutanoate Traditional Name: potassium 3-cyano-4-keto-4-methoxy-2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]butyrate Formula: C15H12KN5O6 MolecularWeight: 397.38398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O6.K/c1-7-3-4-8(5-10(7)20(24)25)12-17-13(19-18-12)11(14(21)22)9(6-16)15(23)26-2;/h3-5,9,11H,1-2H3,(H,21,22)(H,17,18,19);/q;+1/p-1