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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=NN1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=NC(=NN1)[N+](=O)[O-]

InChI

InChI=1S/C6H8N4O4/c1-2-14-5(11)3-4-7-6(9-8-4)10(12)13/h2-3H2,1H3,(H,7,8,9)