2-(4,5-dinitroimidazol-1-yl)-1-(4-methylphenyl)ethanone

Systemtic Name: 2-(4,5-dinitroimidazol-1-yl)-1-(4-methylphenyl)ethanone Openeye Name: 2-(4,5-dinitroimidazol-1-yl)-1-(p-tolyl)ethanone CAS Name: 2-(4,5-dinitro-1-imidazolyl)-1-(4-methylphenyl)ethanone IUPAC Name: 2-(4,5-dinitroimidazol-1-yl)-1-(4-methylphenyl)ethanone Traditional Name: 2-(4,5-dinitroimidazol-1-yl)-1-(p-tolyl)ethanone Formula: C12H10N4O5 MolecularWeight: 290.2316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC(=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC(=C2[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O5/c1-8-2-4-9(5-3-8)10(17)6-14-7-13-11(15(18)19)12(14)16(20)21/h2-5,7H,6H2,1H3