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

Systemtic Name: (phenylmethyl) 2-(3-nitro-1,2,4-triazol-1-yl)ethanoate Openeye Name: benzyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate CAS Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)acetic acid benzyl ester Formula: C11H10N4O4 MolecularWeight: 262.2215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O4/c16-10(19-7-9-4-2-1-3-5-9)6-14-8-12-11(13-14)15(17)18/h1-5,8H,6-7H2