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

Systemtic Name: 1-ethoxy-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]-1-ethoxy-3-methyl-1-(2-nitroimidazol-1-yl)butan-2-one CAS Name: 1-ethoxy-3-methyl-3-[3-[(2-methyl-3-oxobutan-2-yl)amino]propylamino]-1-(2-nitro-1-imidazolyl)-2-butanone IUPAC Name: 1-ethoxy-3-methyl-3-[3-[(2-methyl-3-oxobutan-2-yl)amino]propylamino]-1-(2-nitroimidazol-1-yl)butan-2-one Traditional Name: 1-ethoxy-3-[3-[(2-keto-1,1-dimethyl-propyl)amino]propylamino]-3-methyl-1-(2-nitroimidazol-1-yl)butan-2-one Formula: C18H31N5O5 MolecularWeight: 397.46924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N5O5/c1-7-28-15(22-12-11-19-16(22)23(26)27)14(25)18(5,6)21-10-8-9-20-17(3,4)13(2)24/h11-12,15,20-21H,7-10H2,1-6H3