(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-bromanyl-4-methoxy-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-methoxy-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H13BrN2O4 MolecularWeight: 389.20012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H13BrN2O4/c1-22-14-8-7-12(9-13(14)18)17(21)23-10-15-19-16(20-24-15)11-5-3-2-4-6-11/h2-9H,10H2,1H3