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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)azobenzoate CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)azo]benzoate IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)diazenyl]benzoate Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)azobenzoate Formula: C12H10N3O3- MolecularWeight: 244.2261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3/c1-7-11(8(2)18-15-7)14-13-10-5-3-9(4-6-10)12(16)17/h3-6H,1-2H3,(H,16,17)/p-1