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

Systemtic Name: methyl 3-[(2-bromophenyl)carbonyloxymethyl]-6,7-bis(chloranyl)-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(2-bromobenzoyl)oxymethyl]-6,7-dichloro-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(2-bromophenyl)-oxomethoxy]methyl]-6,7-dichloro-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-bromobenzoyl)oxymethyl]-6,7-dichloro-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(2-bromobenzoyl)oxymethyl]-6,7-dichloro-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C18H11BrCl2N2O5 MolecularWeight: 486.10034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC=CC=C3Br)Cl)Cl)[O-]

Isomeric SMILES

COC(=O)C1=[N+](C2=CC(=C(C=C2N=C1COC(=O)C3=CC=CC=C3Br)Cl)Cl)[O-]

InChI

InChI=1S/C18H11BrCl2N2O5/c1-27-18(25)16-14(8-28-17(24)9-4-2-3-5-10(9)19)22-13-6-11(20)12(21)7-15(13)23(16)26/h2-7H,8H2,1H3