2-[(E)-2-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(2-bromo-5-hydroxy-4-methoxy-phenyl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(2-bromo-5-hydroxy-4-methoxyphenyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(2-bromo-5-hydroxy-4-methoxyphenyl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(2-bromo-5-hydroxy-4-methoxy-phenyl)vinyl]cinchoninic acid Formula: C19H14BrNO4 MolecularWeight: 400.22276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O)O

InChI

InChI=1S/C19H14BrNO4/c1-25-18-10-15(20)11(8-17(18)22)6-7-12-9-14(19(23)24)13-4-2-3-5-16(13)21-12/h2-10,22H,1H3,(H,23,24)/b7-6+