2-(2-nitroimidazol-1-yl)ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphorylcarbamate

Systemtic Name: 2-(2-nitroimidazol-1-yl)ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphorylcarbamate Openeye Name: 2-(2-nitroimidazol-1-yl)ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphorylcarbamate CAS Name: N-[bis(2,2-dimethyl-1-aziridinyl)phosphoryl]carbamic acid 2-(2-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-nitroimidazol-1-yl)ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphorylcarbamate Traditional Name: N-bis(2,2-dimethylethylenimin-1-yl)phosphorylcarbamic acid 2-(2-nitroimidazol-1-yl)ethyl ester Formula: C14H23N6O5P MolecularWeight: 386.343381

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN1P(=O)(NC(=O)OCCN2C=CN=C2[N+](=O)[O-])N3CC3(C)C)C

Isomeric SMILES

CC1(CN1P(=O)(NC(=O)OCCN2C=CN=C2[N+](=O)[O-])N3CC3(C)C)C

InChI

InChI=1S/C14H23N6O5P/c1-13(2)9-18(13)26(24,19-10-14(19,3)4)16-12(21)25-8-7-17-6-5-15-11(17)20(22)23/h5-6H,7-10H2,1-4H3,(H,16,21,24)