2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]cinchoninic acid Formula: C19H13NO4 MolecularWeight: 319.31082

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C19H13NO4/c21-19(22)15-10-13(20-16-4-2-1-3-14(15)16)7-5-12-6-8-17-18(9-12)24-11-23-17/h1-10H,11H2,(H,21,22)/b7-5+