2-[(E)-2-(7-bromanyl-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(7-bromanyl-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(7-bromo-1,3-benzodioxol-5-yl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(7-bromo-1,3-benzodioxol-5-yl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(7-bromo-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(7-bromo-1,3-benzodioxol-5-yl)vinyl]cinchoninate Formula: C19H11BrNO4- MolecularWeight: 397.19894

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])Br

InChI

InChI=1S/C19H12BrNO4/c20-15-7-11(8-17-18(15)25-10-24-17)5-6-12-9-14(19(22)23)13-3-1-2-4-16(13)21-12/h1-9H,10H2,(H,22,23)/p-1/b6-5+