N-(2-bromanyl-4-nitro-phenyl)-5-tert-butyl-3-nitro-2-oxidanyl-benzamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-5-tert-butyl-3-nitro-2-oxidanyl-benzamide Openeye Name: N-(2-bromo-4-nitro-phenyl)-5-tert-butyl-2-hydroxy-3-nitro-benzamide CAS Name: N-(2-bromo-4-nitrophenyl)-5-tert-butyl-2-hydroxy-3-nitrobenzamide IUPAC Name: N-(2-bromo-4-nitrophenyl)-5-tert-butyl-2-hydroxy-3-nitrobenzamide Traditional Name: N-(2-bromo-4-nitro-phenyl)-5-tert-butyl-2-hydroxy-3-nitro-benzamide Formula: C17H16BrN3O6 MolecularWeight: 438.22944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O6/c1-17(2,3)9-6-11(15(22)14(7-9)21(26)27)16(23)19-13-5-4-10(20(24)25)8-12(13)18/h4-8,22H,1-3H3,(H,19,23)