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

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CN2C(=NC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C13H14N4O3/c1-8-4-5-9(2)11(6-8)12(18)7-16-10(3)14-13(15-16)17(19)20/h4-6H,7H2,1-3H3