diethyl 2-acetamido-2-[(2-nitro-1H-imidazol-5-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(2-nitro-1H-imidazol-5-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[(2-nitro-1H-imidazol-5-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(2-nitro-1H-imidazol-5-yl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(2-nitro-1H-imidazol-5-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(2-nitro-1H-imidazol-5-yl)methyl]malonic acid diethyl ester Formula: C13H18N4O7 MolecularWeight: 342.30462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=C(N1)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CN=C(N1)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C13H18N4O7/c1-4-23-10(19)13(16-8(3)18,11(20)24-5-2)6-9-7-14-12(15-9)17(21)22/h7H,4-6H2,1-3H3,(H,14,15)(H,16,18)