2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-8-oxidanyl-quinoline-7-carboxylic acid

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-8-oxidanyl-quinoline-7-carboxylic acid Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-8-hydroxy-quinoline-7-carboxylic acid CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-8-hydroxy-7-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-8-hydroxyquinoline-7-carboxylic acid Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-8-hydroxy-quinoline-7-carboxylic acid Formula: C19H13NO5 MolecularWeight: 335.31022

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=C(C=C3)C=CC(=C4O)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC4=C(C=C3)C=CC(=C4O)C(=O)O

InChI

InChI=1S/C19H13NO5/c21-18-14(19(22)23)7-4-12-3-6-13(20-17(12)18)5-1-11-2-8-15-16(9-11)25-10-24-15/h1-9,21H,10H2,(H,22,23)/b5-1+