methyl 3-[(2-bromophenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(2-bromophenyl)carbonyloxymethyl]-7-methoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(2-bromobenzoyl)oxymethyl]-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(2-bromophenyl)-oxomethoxy]methyl]-7-methoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-bromobenzoyl)oxymethyl]-7-methoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(2-bromobenzoyl)oxymethyl]-7-methoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C19H15BrN2O6 MolecularWeight: 447.2362

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3Br

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C19H15BrN2O6/c1-26-11-7-8-14-16(9-11)22(25)17(19(24)27-2)15(21-14)10-28-18(23)12-5-3-4-6-13(12)20/h3-9H,10H2,1-2H3