[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 5-bromanyl-2-chloranyl-benzoate

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 5-bromanyl-2-chloranyl-benzoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 5-bromo-2-chloro-benzoate CAS Name: 5-bromo-2-chlorobenzoic acid [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 5-bromo-2-chlorobenzoate Traditional Name: 5-bromo-2-chloro-benzoic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C20H15BrClNO4 MolecularWeight: 448.6944

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C20H15BrClNO4/c1-11-6-13-7-12(2-5-18(13)26-11)19-9-15(23-27-19)10-25-20(24)16-8-14(21)3-4-17(16)22/h2-5,7-9,11H,6,10H2,1H3