[6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pyridine-2-carboxylate

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pyridine-2-carboxylate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid (3-benzoyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-2-carboxylate Traditional Name: picolinic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H13Cl2N3O4 MolecularWeight: 454.26232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC(=C(C=C3N=C2COC(=O)C4=CC=CC=N4)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC(=C(C=C3N=C2COC(=O)C4=CC=CC=N4)Cl)Cl)[O-]

InChI

InChI=1S/C22H13Cl2N3O4/c23-14-10-17-19(11-15(14)24)27(30)20(21(28)13-6-2-1-3-7-13)18(26-17)12-31-22(29)16-8-4-5-9-25-16/h1-11H,12H2