methyl 4-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate

Systemtic Name: methyl 4-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethoxy]-3-bromanyl-benzoate Openeye Name: methyl 4-[2-[3,5-bis(2-furyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethoxy]-3-bromo-benzoate CAS Name: 4-[2-[3,5-bis(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-3-bromobenzoate Traditional Name: 4-[2-[3,5-bis(2-furyl)-2-pyrazolin-1-yl]-2-keto-ethoxy]-3-bromo-benzoic acid methyl ester Formula: C21H17BrN2O6 MolecularWeight: 473.27348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CO4)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CO4)Br

InChI

InChI=1S/C21H17BrN2O6/c1-27-21(26)13-6-7-17(14(22)10-13)30-12-20(25)24-16(19-5-3-9-29-19)11-15(23-24)18-4-2-8-28-18/h2-10,16H,11-12H2,1H3