(3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate

Systemtic Name: (3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate Openeye Name: (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (3-acetyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-acetyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=NC=C3)[O-]

Isomeric SMILES

CC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=NC=C3)[O-]

InChI

InChI=1S/C17H13N3O4/c1-11(21)16-14(10-24-17(22)12-6-8-18-9-7-12)19-13-4-2-3-5-15(13)20(16)23/h2-9H,10H2,1H3