6-bromanyl-2-[(E)-2-(2,4-dimethylphenyl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-[(E)-2-(2,4-dimethylphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(2,4-dimethylphenyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(2,4-dimethylphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(2,4-dimethylphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-(2,4-dimethylphenyl)vinyl]cinchoninate Formula: C20H15BrNO2- MolecularWeight: 381.2426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-])C

InChI

InChI=1S/C20H16BrNO2/c1-12-3-4-14(13(2)9-12)5-7-16-11-18(20(23)24)17-10-15(21)6-8-19(17)22-16/h3-11H,1-2H3,(H,23,24)/p-1/b7-5+