(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-bromanylpyridine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 5-bromanylpyridine-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C14H9BrN4O3 MolecularWeight: 361.15026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C14H9BrN4O3/c15-10-5-9(6-16-7-10)14(21)22-8-19-13(20)11-3-1-2-4-12(11)17-18-19/h1-7H,8H2