3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoic acid

Systemtic Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoic acid Openeye Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoic acid CAS Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoic acid IUPAC Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoic acid Traditional Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propionic acid Formula: C6H8N4O4 MolecularWeight: 200.15212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H8N4O4/c1-4-7-6(10(13)14)8-9(4)3-2-5(11)12/h2-3H2,1H3,(H,11,12)