5-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-(7-bromanyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-3-carboxylic acid Openeye Name: 5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)isoxazole-3-carboxylic acid CAS Name: 5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-isoxazolecarboxylic acid IUPAC Name: 5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-3-carboxylic acid Traditional Name: 5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)isoxazole-3-carboxylic acid Formula: C13H10BrNO5 MolecularWeight: 340.1262

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C3=CC(=NO3)C(=O)O)Br)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C3=CC(=NO3)C(=O)O)Br)OC1

InChI

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