3-methyl-3-[3-[(2-methyl-3-oxidanylidene-butan-2-yl)amino]propylamino]-1-(4-nitroimidazol-1-yl)butan-2-one

Systemtic Name: 3-methyl-3-[3-[(2-methyl-3-oxidanylidene-butan-2-yl)amino]propylamino]-1-(4-nitroimidazol-1-yl)butan-2-one Openeye Name: 3-[3-[(1,1-dimethyl-2-oxo-propyl)amino]propylamino]-3-methyl-1-(4-nitroimidazol-1-yl)butan-2-one CAS Name: 3-methyl-3-[3-[(2-methyl-3-oxobutan-2-yl)amino]propylamino]-1-(4-nitro-1-imidazolyl)-2-butanone IUPAC Name: 3-methyl-3-[3-[(2-methyl-3-oxobutan-2-yl)amino]propylamino]-1-(4-nitroimidazol-1-yl)butan-2-one Traditional Name: 3-[3-[(2-keto-1,1-dimethyl-propyl)amino]propylamino]-3-methyl-1-(4-nitroimidazol-1-yl)butan-2-one Formula: C16H27N5O4 MolecularWeight: 353.41668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)NCCCNC(C)(C)C(=O)CN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C)(C)NCCCNC(C)(C)C(=O)CN1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H27N5O4/c1-12(22)15(2,3)18-7-6-8-19-16(4,5)13(23)9-20-10-14(17-11-20)21(24)25/h10-11,18-19H,6-9H2,1-5H3