N-(3-bromanyl-4-oxidanyl-phenyl)-2,4-dinitro-benzamide

Systemtic Name: N-(3-bromanyl-4-oxidanyl-phenyl)-2,4-dinitro-benzamide Openeye Name: N-(3-bromo-4-hydroxy-phenyl)-2,4-dinitro-benzamide CAS Name: N-(3-bromo-4-hydroxyphenyl)-2,4-dinitrobenzamide IUPAC Name: N-(3-bromo-4-hydroxyphenyl)-2,4-dinitrobenzamide Traditional Name: N-(3-bromo-4-hydroxy-phenyl)-2,4-dinitro-benzamide Formula: C13H8BrN3O6 MolecularWeight: 382.12312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br)O

InChI

InChI=1S/C13H8BrN3O6/c14-10-5-7(1-4-12(10)18)15-13(19)9-3-2-8(16(20)21)6-11(9)17(22)23/h1-6,18H,(H,15,19)