5-[2-(4-bromanylbutoxy)-5-nitro-phenoxy]carbonylpyridine-3-carboxylic acid

Systemtic Name: 5-[2-(4-bromanylbutoxy)-5-nitro-phenoxy]carbonylpyridine-3-carboxylic acid Openeye Name: 5-[2-(4-bromobutoxy)-5-nitro-phenoxy]carbonylpyridine-3-carboxylic acid CAS Name: 5-[[2-(4-bromobutoxy)-5-nitrophenoxy]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 5-[2-(4-bromobutoxy)-5-nitrophenoxy]carbonylpyridine-3-carboxylic acid Traditional Name: 5-[2-(4-bromobutoxy)-5-nitro-phenoxy]carbonylnicotinic acid Formula: C17H15BrN2O7 MolecularWeight: 439.2142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])OC(=O)C2=CN=CC(=C2)C(=O)O)OCCCCBr

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])OC(=O)C2=CN=CC(=C2)C(=O)O)OCCCCBr

InChI

InChI=1S/C17H15BrN2O7/c18-5-1-2-6-26-14-4-3-13(20(24)25)8-15(14)27-17(23)12-7-11(16(21)22)9-19-10-12/h3-4,7-10H,1-2,5-6H2,(H,21,22)