6-[(E)-2-(5-bromanyl-2-phenylmethoxy-phenyl)ethenyl]-4-oxidanylidene-1H-pyridine-3-carboxylic acid

Systemtic Name: 6-[(E)-2-(5-bromanyl-2-phenylmethoxy-phenyl)ethenyl]-4-oxidanylidene-1H-pyridine-3-carboxylic acid Openeye Name: 6-[(E)-2-(2-benzyloxy-5-bromo-phenyl)vinyl]-4-oxo-1H-pyridine-3-carboxylic acid CAS Name: 6-[(E)-2-(5-bromo-2-phenylmethoxyphenyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylic acid IUPAC Name: 6-[(E)-2-(5-bromo-2-phenylmethoxyphenyl)ethenyl]-4-oxo-1H-pyridine-3-carboxylic acid Traditional Name: 6-[(E)-2-(2-benzoxy-5-bromo-phenyl)vinyl]-4-keto-1H-pyridine-3-carboxylic acid Formula: C21H16BrNO4 MolecularWeight: 426.26004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C=CC3=CC(=O)C(=CN3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=C/C3=CC(=O)C(=CN3)C(=O)O

InChI

InChI=1S/C21H16BrNO4/c22-16-7-9-20(27-13-14-4-2-1-3-5-14)15(10-16)6-8-17-11-19(24)18(12-23-17)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)/b8-6+