2-[2,6-bis(bromanyl)heptan-4-yl]-N-(2-hydroxyethyl)-3,5-dinitro-benzamide

Systemtic Name: 2-[2,6-bis(bromanyl)heptan-4-yl]-N-(2-hydroxyethyl)-3,5-dinitro-benzamide Openeye Name: 2-[3-bromo-1-(2-bromopropyl)butyl]-N-(2-hydroxyethyl)-3,5-dinitro-benzamide CAS Name: 2-(2,6-dibromoheptan-4-yl)-N-(2-hydroxyethyl)-3,5-dinitrobenzamide IUPAC Name: 2-(2,6-dibromoheptan-4-yl)-N-(2-hydroxyethyl)-3,5-dinitrobenzamide Traditional Name: 2-[3-bromo-1-(2-bromopropyl)butyl]-N-(2-hydroxyethyl)-3,5-dinitro-benzamide Formula: C16H21Br2N3O6 MolecularWeight: 511.16244

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C)Br)C1=C(C=C(C=C1C(=O)NCCO)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC(CC(CC(C)Br)C1=C(C=C(C=C1C(=O)NCCO)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C16H21Br2N3O6/c1-9(17)5-11(6-10(2)18)15-13(16(23)19-3-4-22)7-12(20(24)25)8-14(15)21(26)27/h7-11,22H,3-6H2,1-2H3,(H,19,23)