6-(2-bromoethyl)-2-oxidanylidene-1H-pyridine-3-carboxylic acid; phenoxymethylbenzene

Systemtic Name: 6-(2-bromoethyl)-2-oxidanylidene-1H-pyridine-3-carboxylic acid; phenoxymethylbenzene Openeye Name: benzyloxybenzene; 6-(2-bromoethyl)-2-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-(2-bromoethyl)-2-oxo-1H-pyridine-3-carboxylic acid; phenoxymethylbenzene IUPAC Name: 6-(2-bromoethyl)-2-oxo-1H-pyridine-3-carboxylic acid; phenoxymethylbenzene Traditional Name: benzoxybenzene; 6-(2-bromoethyl)-2-keto-1H-pyridine-3-carboxylic acid Formula: C21H20BrNO4 MolecularWeight: 430.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2.C1=C(NC(=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;9-4-3-5-1-2-6(8(12)13)7(11)10-5/h1-10H,11H2;1-2H,3-4H2,(H,10,11)(H,12,13)