(phenylmethyl) 4-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]benzoate

Systemtic Name: (phenylmethyl) 4-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]benzoate Openeye Name: benzyl 4-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]benzoate CAS Name: 4-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]benzoate Traditional Name: 4-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)oxy]benzoic acid benzyl ester Formula: C17H14N4O5 MolecularWeight: 354.31686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O5/c1-20-17(18-16(19-20)21(23)24)26-14-9-7-13(8-10-14)15(22)25-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3