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

Systemtic Name: methyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(pyridin-4-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H11Cl2N3O5 MolecularWeight: 408.19234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Cl2N3O5/c1-26-17(24)15-13(8-27-16(23)9-2-4-20-5-3-9)21-12-6-10(18)11(19)7-14(12)22(15)25/h2-7H,8H2,1H3