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

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O3/c1-8-3-4-9(2)10(5-8)11(17)6-15-7-13-12(14-15)16(18)19/h3-5,7H,6H2,1-2H3