3-bromanyl-4-oxidanylidene-5-phenylmethoxy-1-(phenylmethyl)pyridine-2-carboxylic acid

Systemtic Name: 3-bromanyl-4-oxidanylidene-5-phenylmethoxy-1-(phenylmethyl)pyridine-2-carboxylic acid Openeye Name: 1-benzyl-5-benzyloxy-3-bromo-4-oxo-pyridine-2-carboxylic acid CAS Name: 3-bromo-4-oxo-5-phenylmethoxy-1-(phenylmethyl)-2-pyridinecarboxylic acid IUPAC Name: 1-benzyl-3-bromo-4-oxo-5-phenylmethoxypyridine-2-carboxylic acid Traditional Name: 5-benzoxy-1-benzyl-3-bromo-4-keto-picolinic acid Formula: C20H16BrNO4 MolecularWeight: 414.24934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=O)C(=C2C(=O)O)Br)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)C(=C2C(=O)O)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C20H16BrNO4/c21-17-18(20(24)25)22(11-14-7-3-1-4-8-14)12-16(19(17)23)26-13-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,24,25)