ethyl (2S)-2-[(4-nitro-1H-imidazol-5-yl)carbonylamino]propanoate

Systemtic Name: ethyl (2S)-2-[(4-nitro-1H-imidazol-5-yl)carbonylamino]propanoate Openeye Name: ethyl (2S)-2-[(4-nitro-1H-imidazole-5-carbonyl)amino]propanoate CAS Name: (2S)-2-[[(4-nitro-1H-imidazol-5-yl)-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4-nitro-1H-imidazole-5-carbonyl)amino]propanoate Traditional Name: (2S)-2-[(4-nitro-1H-imidazole-5-carbonyl)amino]propionic acid ethyl ester Formula: C9H12N4O5 MolecularWeight: 256.21538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C1=C(N=CN1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)C1=C(N=CN1)[N+](=O)[O-]

InChI

InChI=1S/C9H12N4O5/c1-3-18-9(15)5(2)12-8(14)6-7(13(16)17)11-4-10-6/h4-5H,3H2,1-2H3,(H,10,11)(H,12,14)/t5-/m0/s1