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

Systemtic Name: methyl 2-[3-(4-nitroimidazol-1-yl)propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoate CAS Name: 3-hydroxy-2-[[3-(4-nitro-1-imidazolyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[3-(4-nitroimidazol-1-yl)propanoylamino]propanoate Traditional Name: 3-hydroxy-2-[3-(4-nitroimidazol-1-yl)propanoylamino]propionic acid methyl ester Formula: C10H14N4O6 MolecularWeight: 286.24136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O6/c1-20-10(17)7(5-15)12-9(16)2-3-13-4-8(11-6-13)14(18)19/h4,6-7,15H,2-3,5H2,1H3,(H,12,16)