2-(5-methyl-2-nitro-2-sulfooxy-imidazol-4-yl)oxypropyl ethanoate

Systemtic Name: 2-(5-methyl-2-nitro-2-sulfooxy-imidazol-4-yl)oxypropyl ethanoate Openeye Name: 2-(5-methyl-2-nitro-2-sulfooxy-imidazol-4-yl)oxypropyl acetate CAS Name: acetic acid 2-[(5-methyl-2-nitro-2-sulfooxy-4-imidazolyl)oxy]propyl ester IUPAC Name: 2-(5-methyl-2-nitro-2-sulfooxyimidazol-4-yl)oxypropyl acetate Traditional Name: acetic acid 2-(5-methyl-2-nitro-2-sulfoxy-imidazol-4-yl)oxypropyl ester Formula: C9H13N3O9S MolecularWeight: 339.27922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(N=C1OC(C)COC(=O)C)([N+](=O)[O-])OS(=O)(=O)O

Isomeric SMILES

CC1=NC(N=C1OC(C)COC(=O)C)([N+](=O)[O-])OS(=O)(=O)O

InChI

InChI=1S/C9H13N3O9S/c1-5(4-19-7(3)13)20-8-6(2)10-9(11-8,12(14)15)21-22(16,17)18/h5H,4H2,1-3H3,(H,16,17,18)