1-(2-bromoethyl)-2-oxidanylidene-pyridine-3-carboxylic acid; phenoxymethylbenzene

Systemtic Name: 1-(2-bromoethyl)-2-oxidanylidene-pyridine-3-carboxylic acid; phenoxymethylbenzene Openeye Name: benzyloxybenzene; 1-(2-bromoethyl)-2-oxo-pyridine-3-carboxylic acid CAS Name: 1-(2-bromoethyl)-2-oxo-3-pyridinecarboxylic acid; phenoxymethylbenzene IUPAC Name: 1-(2-bromoethyl)-2-oxopyridine-3-carboxylic acid; phenoxymethylbenzene Traditional Name: benzoxybenzene; 1-(2-bromoethyl)-2-keto-nicotinic acid Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2.C1=CN(C(=O)C(=C1)C(=O)O)CCBr

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2.C1=CN(C(=O)C(=C1)C(=O)O)CCBr

InChI

InChI=1S/C13H12O.C8H8BrNO3/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;9-3-5-10-4-1-2-6(7(10)11)8(12)13/h1-10H,11H2;1-2,4H,3,5H2,(H,12,13)