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

Systemtic Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(4-methoxyphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C12H12N4O4 MolecularWeight: 276.24808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4/c1-8-13-12(16(18)19)14-15(8)7-11(17)9-3-5-10(20-2)6-4-9/h3-6H,7H2,1-2H3