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

Systemtic Name: methyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(phenylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H12Cl2N2O5 MolecularWeight: 407.20428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12Cl2N2O5/c1-26-18(24)16-14(9-27-17(23)10-5-3-2-4-6-10)21-13-7-11(19)12(20)8-15(13)22(16)25/h2-8H,9H2,1H3