ethyl 3-[[1-methyl-4-[(1-methyl-4-nitro-imidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[1-methyl-4-[(1-methyl-4-nitro-imidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[1-methyl-4-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoate CAS Name: 3-[[[1-methyl-4-[[(1-methyl-4-nitro-2-imidazolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[1-methyl-4-[(1-methyl-4-nitroimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propanoate Traditional Name: 3-[[1-methyl-4-[(1-methyl-4-nitro-imidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]propionic acid ethyl ester Formula: C16H20N6O6 MolecularWeight: 392.3666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC(=CN1C)NC(=O)C2=NC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC(=CN1C)NC(=O)C2=NC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O6/c1-4-28-13(23)5-6-17-15(24)11-7-10(8-20(11)2)18-16(25)14-19-12(22(26)27)9-21(14)3/h7-9H,4-6H2,1-3H3,(H,17,24)(H,18,25)