2-(aziridin-1-yl)-N-[2,3-bis(oxidanyl)propyl]-3,5-dinitro-benzamide

Systemtic Name: 2-(aziridin-1-yl)-N-[2,3-bis(oxidanyl)propyl]-3,5-dinitro-benzamide Openeye Name: 2-(aziridin-1-yl)-N-(2,3-dihydroxypropyl)-3,5-dinitro-benzamide CAS Name: 2-(1-aziridinyl)-N-(2,3-dihydroxypropyl)-3,5-dinitrobenzamide IUPAC Name: 2-(aziridin-1-yl)-N-(2,3-dihydroxypropyl)-3,5-dinitrobenzamide Traditional Name: 2-ethylenimino-N-glyceryl-3,5-dinitro-benzamide Formula: C12H14N4O7 MolecularWeight: 326.26216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C=C2C(=O)NCC(CO)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C=C2C(=O)NCC(CO)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O7/c17-6-8(18)5-13-12(19)9-3-7(15(20)21)4-10(16(22)23)11(9)14-1-2-14/h3-4,8,17-18H,1-2,5-6H2,(H,13,19)