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

Systemtic Name: methyl 6,7-bis(chloranyl)-3-[(3-methylphenyl)carbonyloxymethyl]-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 6,7-dichloro-3-[(3-methylbenzoyl)oxymethyl]-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-3-[[(3-methylphenyl)-oxomethoxy]methyl]-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-3-[(3-methylbenzoyl)oxymethyl]-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-3-(m-toluoyloxymethyl)-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C19H14Cl2N2O5 MolecularWeight: 421.23086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OC)[O-])Cl)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC2=NC3=CC(=C(C=C3[N+](=C2C(=O)OC)[O-])Cl)Cl

InChI

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