ethyl 4-(4-nitro-1,2,3-triazol-2-yl)butanoate

Systemtic Name: ethyl 4-(4-nitro-1,2,3-triazol-2-yl)butanoate Openeye Name: ethyl 4-(4-nitrotriazol-2-yl)butanoate CAS Name: 4-(4-nitro-2-triazolyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-nitrotriazol-2-yl)butanoate Traditional Name: 4-(4-nitrotriazol-2-yl)butyric acid ethyl ester Formula: C8H12N4O4 MolecularWeight: 228.20528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1N=CC(=N1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCN1N=CC(=N1)[N+](=O)[O-]

InChI

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