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

Systemtic Name: methyl 3-[(2-bromophenyl)carbonyloxymethyl]-7-ethoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(2-bromobenzoyl)oxymethyl]-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(2-bromophenyl)-oxomethoxy]methyl]-7-ethoxy-1-oxido-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-bromobenzoyl)oxymethyl]-7-ethoxy-1-oxidoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-[(2-bromobenzoyl)oxymethyl]-7-ethoxy-1-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C20H17BrN2O6 MolecularWeight: 461.26278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OC)COC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C20H17BrN2O6/c1-3-28-12-8-9-15-17(10-12)23(26)18(20(25)27-2)16(22-15)11-29-19(24)13-6-4-5-7-14(13)21/h4-10H,3,11H2,1-2H3