3-(7-bromanyl-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(7-bromanyl-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(7-bromo-1,3-benzodioxol-5-yl)-4,5-dihydroisoxazole-5-carboxylic acid CAS Name: 3-(7-bromo-1,3-benzodioxol-5-yl)-4,5-dihydroisoxazole-5-carboxylic acid IUPAC Name: 3-(7-bromo-1,3-benzodioxol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(7-bromo-1,3-benzodioxol-5-yl)-2-isoxazoline-5-carboxylic acid Formula: C11H8BrNO5 MolecularWeight: 314.08892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC3=C(C(=C2)Br)OCO3)C(=O)O

Isomeric SMILES

C1C(ON=C1C2=CC3=C(C(=C2)Br)OCO3)C(=O)O

InChI

InChI=1S/C11H8BrNO5/c12-6-1-5(2-8-10(6)17-4-16-8)7-3-9(11(14)15)18-13-7/h1-2,9H,3-4H2,(H,14,15)