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

Systemtic Name: 3-methyl-3-[[2-[[(2-methyl-3-oxidanylidene-butan-2-yl)amino]methyl]-4-(2-nitroimidazol-1-yl)butyl]amino]butan-2-one Openeye Name: 3-[[2-[[(1,1-dimethyl-2-oxo-propyl)amino]methyl]-4-(2-nitroimidazol-1-yl)butyl]amino]-3-methyl-butan-2-one CAS Name: 3-methyl-3-[[2-[[(2-methyl-3-oxobutan-2-yl)amino]methyl]-4-(2-nitro-1-imidazolyl)butyl]amino]-2-butanone IUPAC Name: 3-methyl-3-[[2-[[(2-methyl-3-oxobutan-2-yl)amino]methyl]-4-(2-nitroimidazol-1-yl)butyl]amino]butan-2-one Traditional Name: 3-[[2-[[(2-keto-1,1-dimethyl-propyl)amino]methyl]-4-(2-nitroimidazol-1-yl)butyl]amino]-3-methyl-butan-2-one Formula: C18H31N5O4 MolecularWeight: 381.46984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)NCC(CCN1C=CN=C1[N+](=O)[O-])CNC(C)(C)C(=O)C

Isomeric SMILES

CC(=O)C(C)(C)NCC(CCN1C=CN=C1[N+](=O)[O-])CNC(C)(C)C(=O)C

InChI

InChI=1S/C18H31N5O4/c1-13(24)17(3,4)20-11-15(12-21-18(5,6)14(2)25)7-9-22-10-8-19-16(22)23(26)27/h8,10,15,20-21H,7,9,11-12H2,1-6H3