3-(4-bromophenyl)carbonyl-[1,3]oxazolo[3,2-a]pyridin-4-ium-2-olate

Systemtic Name: 3-(4-bromophenyl)carbonyl-[1,3]oxazolo[3,2-a]pyridin-4-ium-2-olate Openeye Name: 3-(4-bromobenzoyl)oxazolo[3,2-a]pyridin-4-ium-2-olate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-2-oxazolo[3,2-a]pyridin-4-iumolate IUPAC Name: 3-(4-bromobenzoyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium-2-olate Traditional Name: 3-(4-bromobenzoyl)oxazolo[3,2-a]pyridin-4-ium-2-olate Formula: C14H8BrNO3 MolecularWeight: 318.12222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+]2C(=C1)OC(=C2C(=O)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

C1=CC=[N+]2C(=C1)OC(=C2C(=O)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C14H8BrNO3/c15-10-6-4-9(5-7-10)13(17)12-14(18)19-11-3-1-2-8-16(11)12/h1-8H