1-(1,2,4-triazol-1-yl)ethyl 3,5-dinitrobenzoate

Systemtic Name: 1-(1,2,4-triazol-1-yl)ethyl 3,5-dinitrobenzoate Openeye Name: 1-(1,2,4-triazol-1-yl)ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 1-(1,2,4-triazol-1-yl)ethyl ester IUPAC Name: 1-(1,2,4-triazol-1-yl)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-(1,2,4-triazol-1-yl)ethyl ester Formula: C11H9N5O6 MolecularWeight: 307.21906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=NC=N1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(N1C=NC=N1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O6/c1-7(14-6-12-5-13-14)22-11(17)8-2-9(15(18)19)4-10(3-8)16(20)21/h2-7H,1H3