[6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] pyridine-4-carboxylate

Systemtic Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] pyridine-4-carboxylate Openeye Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxo-4-cyclohepta[c]furanyl] ester IUPAC Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxocyclohepta[c]furan-4-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [6-(1,3-benzodioxol-5-yl)-8-keto-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C24H17NO6 MolecularWeight: 415.39488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=NC=C5

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=NC=C5

InChI

InChI=1S/C24H17NO6/c1-13-22-18(26)9-17(16-3-4-19-20(10-16)29-12-28-19)11-21(23(22)14(2)30-13)31-24(27)15-5-7-25-8-6-15/h3-11H,12H2,1-2H3