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

Systemtic Name: [6-ethoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl pyridine-3-carboxylate Openeye Name: (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (3-benzoyl-6-ethoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-ethoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (3-benzoyl-6-ethoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C24H19N3O5 MolecularWeight: 429.42476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CN=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H19N3O5/c1-2-31-18-10-11-19-21(13-18)27(30)22(23(28)16-7-4-3-5-8-16)20(26-19)15-32-24(29)17-9-6-12-25-14-17/h3-14H,2,15H2,1H3