3-(1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-benzo[f]quinolinecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)benzo[f]quinoline-1-carboxylic acid Formula: C21H13NO4 MolecularWeight: 343.33222

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C5=CC=CC=C5C=C4)C(=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C5=CC=CC=C5C=C4)C(=C3)C(=O)O

InChI

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