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

Systemtic Name: ethyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(phenylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 3-(benzoyloxymethyl)-6,7-dichloro-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(benzoyloxymethyl)-6,7-dichloro-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzoyloxymethyl)-6,7-dichloro-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(benzoyloxymethyl)-6,7-dichloro-1-oxido-quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C19H14Cl2N2O5 MolecularWeight: 421.23086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14Cl2N2O5/c1-2-27-19(25)17-15(10-28-18(24)11-6-4-3-5-7-11)22-14-8-12(20)13(21)9-16(14)23(17)26/h3-9H,2,10H2,1H3