[2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]methyl ethanoate

Systemtic Name: [2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]methyl ethanoate Openeye Name: [2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]methyl acetate CAS Name: acetic acid [2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]methyl ester IUPAC Name: [2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]phenyl]methyl acetate Traditional Name: acetic acid [2-[2-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]benzyl] ester Formula: C18H16N4O4 MolecularWeight: 352.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=CC=C1C2=NC(=NN2C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=CC=CC=C1C2=NC(=NN2C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4/c1-12(23)26-11-14-5-3-4-6-16(14)18-19-17(20-21(18)2)13-7-9-15(10-8-13)22(24)25/h3-10H,11H2,1-2H3