3-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)-1-(4-methylphenyl)propan-1-one

Systemtic Name: 3-(5-bromanyl-2-methyl-4-nitro-imidazol-1-yl)-1-(4-methylphenyl)propan-1-one Openeye Name: 3-(5-bromo-2-methyl-4-nitro-imidazol-1-yl)-1-(p-tolyl)propan-1-one CAS Name: 3-(5-bromo-2-methyl-4-nitro-1-imidazolyl)-1-(4-methylphenyl)-1-propanone IUPAC Name: 3-(5-bromo-2-methyl-4-nitroimidazol-1-yl)-1-(4-methylphenyl)propan-1-one Traditional Name: 3-(5-bromo-2-methyl-4-nitro-imidazol-1-yl)-1-(p-tolyl)propan-1-one Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCN2C(=NC(=C2Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCN2C(=NC(=C2Br)[N+](=O)[O-])C

InChI

InChI=1S/C14H14BrN3O3/c1-9-3-5-11(6-4-9)12(19)7-8-17-10(2)16-14(13(17)15)18(20)21/h3-6H,7-8H2,1-2H3