[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pyridine-3-carboxylate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pyridine-3-carboxylate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H15N3O4 MolecularWeight: 385.3722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15N3O4/c26-21(15-7-2-1-3-8-15)20-18(14-29-22(27)16-9-6-12-23-13-16)24-17-10-4-5-11-19(17)25(20)28/h1-13H,14H2