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

Systemtic Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoate Openeye Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoate CAS Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoate IUPAC Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propanoate Traditional Name: 3-(5-methyl-3-nitro-1,2,4-triazol-1-yl)propionate Formula: C6H7N4O4- MolecularWeight: 199.14418

Click to see the large picture

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)/p-1