2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-[[azanyl-(oxidanylamino)methylidene]amino]-4-oxidanylidene-butanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-[[azanyl-(oxidanylamino)methylidene]amino]-4-oxidanylidene-butanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-[[amino-(hydroxyamino)methylene]amino]-4-oxo-butanoate CAS Name: 4-[[amino-(hydroxyamino)methylidene]amino]-4-oxobutanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-[[amino-(hydroxyamino)methylidene]amino]-4-oxobutanoate Traditional Name: 4-[[amino-(hydroxyamino)methylene]amino]-4-keto-butyric acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C11H16N6O6 MolecularWeight: 328.28134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCC(=O)N=C(N)NO)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCC(=O)N=C(N)NO)[N+](=O)[O-]

InChI

InChI=1S/C11H16N6O6/c1-7-13-6-9(17(21)22)16(7)4-5-23-10(19)3-2-8(18)14-11(12)15-20/h6,20H,2-5H2,1H3,(H3,12,14,15,18)