4-(4-bromanylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide

Systemtic Name: 4-(4-bromanylphenoxy)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]butanamide Openeye Name: 4-(4-bromophenoxy)-N-[(2-hydroxy-5-nitro-phenyl)methyl]butanamide CAS Name: 4-(4-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methyl]butanamide IUPAC Name: 4-(4-bromophenoxy)-N-[(2-hydroxy-5-nitrophenyl)methyl]butanamide Traditional Name: 4-(4-bromophenoxy)-N-(2-hydroxy-5-nitro-benzyl)butyramide Formula: C17H17BrN2O5 MolecularWeight: 409.23128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

C1=CC(=CC=C1OCCCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)Br

InChI

InChI=1S/C17H17BrN2O5/c18-13-3-6-15(7-4-13)25-9-1-2-17(22)19-11-12-10-14(20(23)24)5-8-16(12)21/h3-8,10,21H,1-2,9,11H2,(H,19,22)