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

Systemtic Name: ethyl 2-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: ethyl 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetate CAS Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)acetic acid ethyl ester Formula: C6H7BrN4O4 MolecularWeight: 279.04818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7BrN4O4/c1-2-15-4(12)3-10-5(7)8-6(9-10)11(13)14/h2-3H2,1H3