2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(aminocarbonylamino)-4-oxidanylidene-butanoate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-(aminocarbonylamino)-4-oxidanylidene-butanoate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl 4-oxo-4-ureido-butanoate CAS Name: 4-(carbamoylamino)-4-oxobutanoic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-(carbamoylamino)-4-oxobutanoate Traditional Name: 4-keto-4-ureido-butyric acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C11H15N5O6 MolecularWeight: 313.2667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O6/c1-7-13-6-9(16(20)21)15(7)4-5-22-10(18)3-2-8(17)14-11(12)19/h6H,2-5H2,1H3,(H3,12,14,17,19)