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

Systemtic Name: butyl 2-(3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: butyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid butyl ester IUPAC Name: butyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid butyl ester Formula: C8H12N4O4 MolecularWeight: 228.20528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N4O4/c1-2-3-4-16-7(13)5-11-6-9-8(10-11)12(14)15/h6H,2-5H2,1H3