5-bromanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(2-hydroxy-5-nitro-phenyl)methyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(2-hydroxy-5-nitrophenyl)methyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(2-hydroxy-5-nitrophenyl)methyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-(2-hydroxy-5-nitro-benzyl)nicotinamide Formula: C13H10BrN3O4 MolecularWeight: 352.1402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O4/c14-10-3-9(5-15-7-10)13(19)16-6-8-4-11(17(20)21)1-2-12(8)18/h1-5,7,18H,6H2,(H,16,19)