3-(2-nitroimidazol-1-yl)-1-[2-(2-oxidanylidenepropylamino)ethoxyamino]butan-2-one

Systemtic Name: 3-(2-nitroimidazol-1-yl)-1-[2-(2-oxidanylidenepropylamino)ethoxyamino]butan-2-one Openeye Name: 1-[2-(acetonylamino)ethoxyamino]-3-(2-nitroimidazol-1-yl)butan-2-one CAS Name: 3-(2-nitro-1-imidazolyl)-1-[2-(2-oxopropylamino)ethoxyamino]-2-butanone IUPAC Name: 3-(2-nitroimidazol-1-yl)-1-[2-(2-oxopropylamino)ethoxyamino]butan-2-one Traditional Name: 1-[2-(acetonylamino)ethoxyamino]-3-(2-nitroimidazol-1-yl)butan-2-one Formula: C12H19N5O5 MolecularWeight: 313.30976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O5/c1-9(18)7-13-4-6-22-15-8-11(19)10(2)16-5-3-14-12(16)17(20)21/h3,5,10,13,15H,4,6-8H2,1-2H3