sodium 3-cyano-4-methylperoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)butanoate

Systemtic Name: sodium 3-cyano-4-methylperoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)butanoate Openeye Name: sodium 3-cyano-4-methylperoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)butanoate CAS Name: sodium 3-cyano-4-methyldioxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)butanoate IUPAC Name: sodium 3-cyano-4-methylperoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)butanoate Traditional Name: sodium 3-cyano-4-methylperoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)butyrate Formula: C9H11N4NaO4 MolecularWeight: 262.19781

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)C(C(COOC)C#N)C(=O)[O-].[Na+]

Isomeric SMILES

CC1=NC(=NN1)C(C(COOC)C#N)C(=O)[O-].[Na+]

InChI

InChI=1S/C9H12N4O4.Na/c1-5-11-8(13-12-5)7(9(14)15)6(3-10)4-17-16-2;/h6-7H,4H2,1-2H3,(H,14,15)(H,11,12,13);/q;+1/p-1