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

Systemtic Name: 1-(4-methylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Openeye Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone IUPAC Name: 1-(4-methylphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone Traditional Name: 2-(3-nitro-1,2,4-triazol-1-yl)-1-(p-tolyl)ethanone Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O3/c1-8-2-4-9(5-3-8)10(16)6-14-7-12-11(13-14)15(17)18/h2-5,7H,6H2,1H3