2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone

Systemtic Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Openeye Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone CAS Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone IUPAC Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Traditional Name: 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)-1-(4-phenoxyphenyl)ethanone Formula: C17H14N4O4 MolecularWeight: 338.31746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1CC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NN1CC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4/c1-12-18-17(21(23)24)19-20(12)11-16(22)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,11H2,1H3