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

Systemtic Name: ethyl 3-[(2-bromophenyl)carbonyloxymethyl]-7-ethoxy-1-oxidanidyl-quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19BrN2O6 MolecularWeight: 475.28936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O6/c1-3-28-13-9-10-16-18(11-13)24(27)19(21(26)29-4-2)17(23-16)12-30-20(25)14-7-5-6-8-15(14)22/h5-11H,3-4,12H2,1-2H3