1-[4-[[3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone

Systemtic Name: 1-[4-[[3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone Openeye Name: 1-[4-[[3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone CAS Name: 1-[4-[[3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone IUPAC Name: 1-[4-[[3-(3-methyl-4-nitrophenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone Traditional Name: 1-[4-[[3-(3-methyl-4-nitro-phenyl)-1H-1,2,4-triazol-5-yl]methoxy]phenyl]ethanone Formula: C18H16N4O4 MolecularWeight: 352.34404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NNC(=N2)COC3=CC=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

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