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

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl pyridine-4-carboxylate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (3-acetyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C17H11Cl2N3O4 MolecularWeight: 392.19294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Cl2N3O4/c1-9(23)16-14(8-26-17(24)10-2-4-20-5-3-10)21-13-6-11(18)12(19)7-15(13)22(16)25/h2-7H,8H2,1H3