3-methyl-3-[3-[(2-methyl-3-oxidanylidene-butan-2-yl)amino]propylamino]-1-(2-nitroimidazol-1-yl)butane-1,2-dione

Systemtic Name: 3-methyl-3-[3-[(2-methyl-3-oxidanylidene-butan-2-yl)amino]propylamino]-1-(2-nitroimidazol-1-yl)butane-1,2-dione Openeye Name: 3-[3-[(1,1-dimethyl-2-oxo-propyl)amino]propylamino]-3-methyl-1-(2-nitroimidazol-1-yl)butane-1,2-dione CAS Name: 3-methyl-3-[3-[(2-methyl-3-oxobutan-2-yl)amino]propylamino]-1-(2-nitro-1-imidazolyl)butane-1,2-dione IUPAC Name: 3-methyl-3-[3-[(2-methyl-3-oxobutan-2-yl)amino]propylamino]-1-(2-nitroimidazol-1-yl)butane-1,2-dione Traditional Name: 3-[3-[(2-keto-1,1-dimethyl-propyl)amino]propylamino]-3-methyl-1-(2-nitroimidazol-1-yl)butane-1,2-dione Formula: C16H25N5O5 MolecularWeight: 367.4002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)NCCCNC(C)(C)C(=O)C(=O)N1C=CN=C1[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C)(C)NCCCNC(C)(C)C(=O)C(=O)N1C=CN=C1[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O5/c1-11(22)15(2,3)18-7-6-8-19-16(4,5)12(23)13(24)20-10-9-17-14(20)21(25)26/h9-10,18-19H,6-8H2,1-5H3