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

Systemtic Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxidanylidene-cyclohepta[c]furan-4-yl] 4-nitrobenzoate Openeye Name: [6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-8-oxo-cyclohepta[c]furan-4-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic 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] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [6-(1,3-benzodioxol-5-yl)-8-keto-1,3-dimethyl-cyclohepta[c]furan-4-yl] ester Formula: C25H17NO8 MolecularWeight: 459.40438

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17NO8/c1-13-23-19(27)9-17(16-5-8-20-21(10-16)32-12-31-20)11-22(24(23)14(2)33-13)34-25(28)15-3-6-18(7-4-15)26(29)30/h3-11H,12H2,1-2H3