(3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (3-acetyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5/c1-11(22)17-15(10-26-18(23)12-5-7-19-8-6-12)20-14-4-3-13(25-2)9-16(14)21(17)24/h3-9H,10H2,1-2H3