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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N5O4/c1-12(22)15(2,3)18-7-6-8-19-16(4,5)13(23)11-20-10-9-17-14(20)21(24)25/h9-10,18-19H,6-8,11H2,1-5H3