N2-[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]oxirane-2,3-dicarboxamide

Systemtic Name: N2-[1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-N3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]oxirane-2,3-dicarboxamide Openeye Name: N2-[1-benzyl-2-(dimethylamino)-2-oxo-ethyl]-N3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]oxirane-2,3-dicarboxamide CAS Name: N2-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-N3-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]oxirane-2,3-dicarboxamide IUPAC Name: 2-N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]oxirane-2,3-dicarboxamide Traditional Name: N-[1-benzyl-2-(dimethylamino)-2-keto-ethyl]-N'-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]oxirane-2,3-dicarboxamide Formula: C21H26N6O6 MolecularWeight: 458.46774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCNC(=O)C2C(O2)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCNC(=O)C2C(O2)C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O6/c1-13-23-12-16(27(31)32)26(13)10-9-22-19(28)17-18(33-17)20(29)24-15(21(30)25(2)3)11-14-7-5-4-6-8-14/h4-8,12,15,17-18H,9-11H2,1-3H3,(H,22,28)(H,24,29)