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

Systemtic Name: butyl 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C9H14N4O4 MolecularWeight: 242.23186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O4/c1-3-4-5-17-8(14)6-12-7(2)10-9(11-12)13(15)16/h3-6H2,1-2H3