3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(6-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)isoxazole-5-carboxylic acid CAS Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-isoxazolecarboxylic acid IUPAC Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)isoxazole-5-carboxylic acid Formula: C13H10BrNO5 MolecularWeight: 340.1262

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C3=NOC(=C3)C(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C3=NOC(=C3)C(=O)O)Br)OC1

InChI

InChI=1S/C13H10BrNO5/c14-8-4-7(9-6-11(13(16)17)20-15-9)5-10-12(8)19-3-1-2-18-10/h4-6H,1-3H2,(H,16,17)