[2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] propanoate

Systemtic Name: [2-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] propanoate Openeye Name: [2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-8-quinolyl] propanoate CAS Name: propanoic acid [2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-8-quinolinyl] ester IUPAC Name: [2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]quinolin-8-yl] propanoate Traditional Name: propionic acid [2-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-8-quinolyl] ester Formula: C21H16BrNO4 MolecularWeight: 426.26004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC=CC2=C1N=C(C=C2)C=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCC(=O)OC1=CC=CC2=C1N=C(C=C2)/C=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C21H16BrNO4/c1-2-20(24)27-17-5-3-4-13-6-8-15(23-21(13)17)9-7-14-10-18-19(11-16(14)22)26-12-25-18/h3-11H,2,12H2,1H3/b9-7+