ethyl 6,7-bis(chloranyl)-3-[(4-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 6,7-bis(chloranyl)-3-[(4-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 6,7-dichloro-3-[(4-methylbenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[(4-methylphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dichloro-3-[(4-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-(p-toluoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C20H16Cl2N2O5 MolecularWeight: 435.25744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O5/c1-3-28-20(26)18-16(10-29-19(25)12-6-4-11(2)5-7-12)23-15-8-13(21)14(22)9-17(15)24(18)27/h4-9H,3,10H2,1-2H3