diethyl 2-acetamido-2-[3-(2-nitroimidazol-1-yl)propyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[3-(2-nitroimidazol-1-yl)propyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[3-(2-nitroimidazol-1-yl)propyl]propanedioate CAS Name: 2-acetamido-2-[3-(2-nitro-1-imidazolyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[3-(2-nitroimidazol-1-yl)propyl]propanedioate Traditional Name: 2-acetamido-2-[3-(2-nitroimidazol-1-yl)propyl]malonic acid diethyl ester Formula: C15H22N4O7 MolecularWeight: 370.35778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN1C=CN=C1[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCCN1C=CN=C1[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C15H22N4O7/c1-4-25-12(21)15(17-11(3)20,13(22)26-5-2)7-6-9-18-10-8-16-14(18)19(23)24/h8,10H,4-7,9H2,1-3H3,(H,17,20)