ethyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-1-oxido-3-[[oxo(pyridin-4-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-1-oxido-3-(pyridine-4-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-(isonicotinoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C18H13Cl2N3O5 MolecularWeight: 422.21892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3O5/c1-2-27-18(25)16-14(9-28-17(24)10-3-5-21-6-4-10)22-13-7-11(19)12(20)8-15(13)23(16)26/h3-8H,2,9H2,1H3