(7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(2-furoylamino)-4,5-dimethoxy-benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H18ClNO8 MolecularWeight: 459.83322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)NC(=O)C4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3)NC(=O)C4=CC=CO4)OC

InChI

InChI=1S/C22H18ClNO8/c1-27-17-8-13(15(9-18(17)28-2)24-21(25)16-4-3-5-29-16)22(26)30-10-12-6-14(23)20-19(7-12)31-11-32-20/h3-9H,10-11H2,1-2H3,(H,24,25)