(2-oxidanylidene-1,2-diphenyl-ethyl) 5-bromanylpyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-1,2-diphenyl-ethyl) 5-bromanylpyridine-3-carboxylate Openeye Name: (2-oxo-1,2-diphenyl-ethyl) 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (2-oxo-1,2-diphenylethyl) ester IUPAC Name: (2-oxo-1,2-diphenylethyl) 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid desyl ester Formula: C20H14BrNO3 MolecularWeight: 396.23406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C20H14BrNO3/c21-17-11-16(12-22-13-17)20(24)25-19(15-9-5-2-6-10-15)18(23)14-7-3-1-4-8-14/h1-13,19H