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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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