methyl 5-[[3,5-bis(3-bromophenyl)-4-chloranyl-pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3,5-bis(3-bromophenyl)-4-chloranyl-pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[3,5-bis(3-bromophenyl)-4-chloro-pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[3,5-bis(3-bromophenyl)-4-chloro-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3,5-bis(3-bromophenyl)-4-chloropyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[3,5-bis(3-bromophenyl)-4-chloro-pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C22H15Br2ClN2O3 MolecularWeight: 550.6271

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C(=C(C(=N2)C3=CC(=CC=C3)Br)Cl)C4=CC(=CC=C4)Br

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C(=C(C(=N2)C3=CC(=CC=C3)Br)Cl)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H15Br2ClN2O3/c1-29-22(28)18-9-8-17(30-18)12-27-21(14-5-3-7-16(24)11-14)19(25)20(26-27)13-4-2-6-15(23)10-13/h2-11H,12H2,1H3