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

Systemtic Name: sodium 3-cyano-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-oxidanylidene-butanoate Openeye Name: sodium 3-cyano-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-oxo-butanoate CAS Name: sodium 3-cyano-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-oxobutanoate IUPAC Name: sodium 3-cyano-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-oxobutanoate Traditional Name: sodium 3-cyano-4-keto-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)butyrate Formula: C9H9N4NaO4 MolecularWeight: 260.18193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N4O4.Na/c1-4-11-7(13-12-4)6(8(14)15)5(3-10)9(16)17-2;/h5-6H,1-2H3,(H,14,15)(H,11,12,13);/q;+1/p-1