[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-(2-methoxy-5-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-methyl-phenyl)butyric acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN2O5/c1-13-6-8-18(27-2)16(10-13)17(25)7-9-20(26)28-12-19-23-21(24-29-19)14-4-3-5-15(22)11-14/h3-6,8,10-11H,7,9,12H2,1-2H3