methyl 2-[3-(4-nitroimidazol-1-yl)propanoylamino]ethanoate

Systemtic Name: methyl 2-[3-(4-nitroimidazol-1-yl)propanoylamino]ethanoate Openeye Name: methyl 2-[3-(4-nitroimidazol-1-yl)propanoylamino]acetate CAS Name: 2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(4-nitroimidazol-1-yl)propanoylamino]acetate Traditional Name: 2-[3-(4-nitroimidazol-1-yl)propanoylamino]acetic acid methyl ester Formula: C9H12N4O5 MolecularWeight: 256.21538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CNC(=O)CCN1C=C(N=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O5/c1-18-9(15)4-10-8(14)2-3-12-5-7(11-6-12)13(16)17/h5-6H,2-4H2,1H3,(H,10,14)