[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H15BrN2O4/c1-11-5-3-4-6-13(11)17-20-16(25-21-17)10-24-18(22)12-7-8-15(23-2)14(19)9-12/h3-9H,10H2,1-2H3