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

Systemtic Name: ethyl 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C7H10N4O4 MolecularWeight: 214.1787

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NC(=N1)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CN1C(=NC(=N1)[N+](=O)[O-])C

InChI

InChI=1S/C7H10N4O4/c1-3-15-6(12)4-10-5(2)8-7(9-10)11(13)14/h3-4H2,1-2H3