4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-quinoline-3-carboxylic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-2-oxo-3-quinolinecarboxylic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-2-oxoquinoline-3-carboxylic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-keto-1-piperonyl-quinoline-3-carboxylic acid Formula: C25H17NO7 MolecularWeight: 443.40498

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=C(C3=O)C(=O)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C4=CC=CC=C4C(=C(C3=O)C(=O)O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H17NO7/c27-24-23(25(28)29)22(15-6-8-19-21(10-15)33-13-31-19)16-3-1-2-4-17(16)26(24)11-14-5-7-18-20(9-14)32-12-30-18/h1-10H,11-13H2,(H,28,29)