5-bromanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate

Systemtic Name: 5-bromanyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate Openeye Name: 5-bromo-2-(3,5-dimethylisoxazol-4-yl)azo-benzoate CAS Name: 5-bromo-2-[(3,5-dimethyl-4-isoxazolyl)azo]benzoate IUPAC Name: 5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate Traditional Name: 5-bromo-2-(3,5-dimethylisoxazol-4-yl)azo-benzoate Formula: C12H9BrN3O3- MolecularWeight: 323.12216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)N=NC2=C(C=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)N=NC2=C(C=C(C=C2)Br)C(=O)[O-]

InChI

InChI=1S/C12H10BrN3O3/c1-6-11(7(2)19-16-6)15-14-10-4-3-8(13)5-9(10)12(17)18/h3-5H,1-2H3,(H,17,18)/p-1