(3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid

Systemtic Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid Openeye Name: (3E)-3-(1,3-benzodioxol-5-ylmethylene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid CAS Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid IUPAC Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid Traditional Name: (3E)-3-piperonylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid Formula: C21H15NO4 MolecularWeight: 345.3481

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C3N=C2C1=CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C/C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C21H15NO4/c23-21(24)19-14-3-1-2-4-16(14)22-20-13(6-7-15(19)20)9-12-5-8-17-18(10-12)26-11-25-17/h1-5,8-10H,6-7,11H2,(H,23,24)/b13-9+