5-(aziridin-1-yl)-N-[2,3-bis(oxidanyl)propyl]-2,4-dinitro-benzamide

Systemtic Name: 5-(aziridin-1-yl)-N-[2,3-bis(oxidanyl)propyl]-2,4-dinitro-benzamide Openeye Name: 5-(aziridin-1-yl)-N-(2,3-dihydroxypropyl)-2,4-dinitro-benzamide CAS Name: 5-(1-aziridinyl)-N-(2,3-dihydroxypropyl)-2,4-dinitrobenzamide IUPAC Name: 5-(aziridin-1-yl)-N-(2,3-dihydroxypropyl)-2,4-dinitrobenzamide Traditional Name: 5-ethylenimino-N-glyceryl-2,4-dinitro-benzamide Formula: C12H14N4O7 MolecularWeight: 326.26216

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C=C(C(=C2)C(=O)NCC(CO)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN1C2=C(C=C(C(=C2)C(=O)NCC(CO)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

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