5-[bis(2-iodanylethyl)amino]-N-[2,3-bis(oxidanyl)propyl]-2,4-dinitro-benzamide

Systemtic Name: 5-[bis(2-iodanylethyl)amino]-N-[2,3-bis(oxidanyl)propyl]-2,4-dinitro-benzamide Openeye Name: 5-[bis(2-iodoethyl)amino]-N-(2,3-dihydroxypropyl)-2,4-dinitro-benzamide CAS Name: 5-[bis(2-iodoethyl)amino]-N-(2,3-dihydroxypropyl)-2,4-dinitrobenzamide IUPAC Name: 5-[bis(2-iodoethyl)amino]-N-(2,3-dihydroxypropyl)-2,4-dinitrobenzamide Traditional Name: 5-[bis(2-iodoethyl)amino]-N-glyceryl-2,4-dinitro-benzamide Formula: C14H18I2N4O7 MolecularWeight: 608.12426

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N(CCI)CCI)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(CO)O

Isomeric SMILES

C1=C(C(=CC(=C1N(CCI)CCI)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(CO)O

InChI

InChI=1S/C14H18I2N4O7/c15-1-3-18(4-2-16)12-5-10(14(23)17-7-9(22)8-21)11(19(24)25)6-13(12)20(26)27/h5-6,9,21-22H,1-4,7-8H2,(H,17,23)