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

Systemtic Name: potassium 2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: potassium 2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: potassium 2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate IUPAC Name: potassium 2-[3-(4-methyl-3-nitrophenyl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: potassium 2-[3-(4-methyl-3-nitro-phenyl)-1H-1,2,4-triazol-5-yl]acetate Formula: C11H9KN4O4 MolecularWeight: 300.31186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O4.K/c1-6-2-3-7(4-8(6)15(18)19)11-12-9(13-14-11)5-10(16)17;/h2-4H,5H2,1H3,(H,16,17)(H,12,13,14);/q;+1/p-1