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

Systemtic Name: 6-bromanyl-2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]quinoline-4-carboxylate Openeye Name: 6-bromo-2-[(E)-2-(2,4,6-trimethylphenyl)vinyl]quinoline-4-carboxylate CAS Name: 6-bromo-2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]quinoline-4-carboxylate Traditional Name: 6-bromo-2-[(E)-2-mesitylvinyl]cinchoninate Formula: C21H17BrNO2- MolecularWeight: 395.26918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO2/c1-12-8-13(2)17(14(3)9-12)6-5-16-11-19(21(24)25)18-10-15(22)4-7-20(18)23-16/h4-11H,1-3H3,(H,24,25)/p-1/b6-5+