(4-methylphenyl)-(5-nitro-2-propan-2-yl-imidazol-1-yl)methanone

Systemtic Name: (4-methylphenyl)-(5-nitro-2-propan-2-yl-imidazol-1-yl)methanone Openeye Name: (2-isopropyl-5-nitro-imidazol-1-yl)-(p-tolyl)methanone CAS Name: (4-methylphenyl)-(5-nitro-2-propan-2-yl-1-imidazolyl)methanone IUPAC Name: (4-methylphenyl)-(5-nitro-2-propan-2-ylimidazol-1-yl)methanone Traditional Name: (2-isopropyl-5-nitro-imidazol-1-yl)-(p-tolyl)methanone Formula: C14H15N3O3 MolecularWeight: 273.2872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=CN=C2C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=CN=C2C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O3/c1-9(2)13-15-8-12(17(19)20)16(13)14(18)11-6-4-10(3)5-7-11/h4-9H,1-3H3