2-benzo[f][1,3]benzodioxol-6-ylquinoline-4-carboxylic acid

Systemtic Name: 2-benzo[f][1,3]benzodioxol-6-ylquinoline-4-carboxylic acid Openeye Name: 2-benzo[f][1,3]benzodioxol-6-ylquinoline-4-carboxylic acid CAS Name: 2-(6-benzo[f][1,3]benzodioxolyl)-4-quinolinecarboxylic acid IUPAC Name: 2-benzo[f][1,3]benzodioxol-6-ylquinoline-4-carboxylic acid Traditional Name: 2-benzo[f][1,3]benzodioxol-6-ylcinchoninic acid Formula: C21H13NO4 MolecularWeight: 343.33222

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C3C=C(C=CC3=C2)C4=NC5=CC=CC=C5C(=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C3C=C(C=CC3=C2)C4=NC5=CC=CC=C5C(=C4)C(=O)O

InChI

InChI=1S/C21H13NO4/c23-21(24)16-10-18(22-17-4-2-1-3-15(16)17)13-6-5-12-8-19-20(26-11-25-19)9-14(12)7-13/h1-10H,11H2,(H,23,24)