[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C19H14BrNO6 MolecularWeight: 432.22156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NOC(=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H14BrNO6/c1-23-13-3-4-15(20)14(8-13)19(22)24-9-12-7-17(27-21-12)11-2-5-16-18(6-11)26-10-25-16/h2-8H,9-10H2,1H3