2-[4-(3-bromanyl-4-oxidanyl-phenoxy)phenyl]-6-ethanoyl-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[4-(3-bromanyl-4-oxidanyl-phenoxy)phenyl]-6-ethanoyl-1,2,4-triazine-3,5-dione Openeye Name: 6-acetyl-2-[4-(3-bromo-4-hydroxy-phenoxy)phenyl]-1,2,4-triazine-3,5-dione CAS Name: 6-acetyl-2-[4-(3-bromo-4-hydroxyphenoxy)phenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 6-acetyl-2-[4-(3-bromo-4-hydroxyphenoxy)phenyl]-1,2,4-triazine-3,5-dione Traditional Name: 6-acetyl-2-[4-(3-bromo-4-hydroxy-phenoxy)phenyl]-1,2,4-triazine-3,5-quinone Formula: C17H12BrN3O5 MolecularWeight: 418.19828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=O)NC1=O)C2=CC=C(C=C2)OC3=CC(=C(C=C3)O)Br

Isomeric SMILES

CC(=O)C1=NN(C(=O)NC1=O)C2=CC=C(C=C2)OC3=CC(=C(C=C3)O)Br

InChI

InChI=1S/C17H12BrN3O5/c1-9(22)15-16(24)19-17(25)21(20-15)10-2-4-11(5-3-10)26-12-6-7-14(23)13(18)8-12/h2-8,23H,1H3,(H,19,24,25)