2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-[bis(azanyl)methylideneamino]-4-oxidanylidene-butanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-guanidino-4-oxo-butanoate CAS Name: 4-(diaminomethylideneamino)-4-oxobutanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-(diaminomethylideneamino)-4-oxobutanoate Traditional Name: 4-guanidino-4-keto-butyric acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C11H16N6O5 MolecularWeight: 312.28194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCOC(=O)CCC(=O)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCOC(=O)CCC(=O)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C11H16N6O5/c1-7-14-6-9(17(20)21)16(7)4-5-22-10(19)3-2-8(18)15-11(12)13/h6H,2-5H2,1H3,(H4,12,13,15,18)