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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31N5O5/c1-6-28-13-15(25)18(4,5)21-9-7-8-20-17(2,3)14(24)12-22-11-10-19-16(22)23(26)27/h10-11,20-21H,6-9,12-13H2,1-5H3