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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C6H8N4O4/c1-4-7-6(10(12)13)8-9(4)3-5(11)14-2/h3H2,1-2H3