[2-[(E)-2-(2-acetyloxy-3-bromanyl-5-chloranyl-phenyl)ethenyl]quinolin-4-yl] ethanoate

Systemtic Name: [2-[(E)-2-(2-acetyloxy-3-bromanyl-5-chloranyl-phenyl)ethenyl]quinolin-4-yl] ethanoate Openeye Name: [2-[(E)-2-(2-acetoxy-3-bromo-5-chloro-phenyl)vinyl]-4-quinolyl] acetate CAS Name: acetic acid [2-[(E)-2-(2-acetyloxy-3-bromo-5-chlorophenyl)ethenyl]-4-quinolinyl] ester IUPAC Name: [2-[(E)-2-(2-acetyloxy-3-bromo-5-chlorophenyl)ethenyl]quinolin-4-yl] acetate Traditional Name: acetic acid [2-[(E)-2-(2-acetoxy-3-bromo-5-chloro-phenyl)vinyl]-4-quinolyl] ester Formula: C21H15BrClNO4 MolecularWeight: 460.7051

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=NC2=CC=CC=C21)C=CC3=CC(=CC(=C3OC(=O)C)Br)Cl

Isomeric SMILES

CC(=O)OC1=CC(=NC2=CC=CC=C21)/C=C/C3=CC(=CC(=C3OC(=O)C)Br)Cl

InChI

InChI=1S/C21H15BrClNO4/c1-12(25)27-20-11-16(24-19-6-4-3-5-17(19)20)8-7-14-9-15(23)10-18(22)21(14)28-13(2)26/h3-11H,1-2H3/b8-7+