2-bromoethyl 4-chloranyl-7-methyl-1-oxidanidyl-2,3-dihydroquinoxalin-1-ium-1-carboxylate

Systemtic Name: 2-bromoethyl 4-chloranyl-7-methyl-1-oxidanidyl-2,3-dihydroquinoxalin-1-ium-1-carboxylate Openeye Name: 2-bromoethyl 4-chloro-7-methyl-1-oxido-2,3-dihydroquinoxalin-1-ium-1-carboxylate CAS Name: 4-chloro-7-methyl-1-oxido-2,3-dihydroquinoxalin-1-ium-1-carboxylic acid 2-bromoethyl ester IUPAC Name: 2-bromoethyl 4-chloro-7-methyl-1-oxido-2,3-dihydroquinoxalin-1-ium-1-carboxylate Traditional Name: 4-chloro-7-methyl-1-oxido-2,3-dihydroquinoxalin-1-ium-1-carboxylic acid 2-bromoethyl ester Formula: C12H14BrClN2O3 MolecularWeight: 349.60816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC[N+]2(C(=O)OCCBr)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC[N+]2(C(=O)OCCBr)[O-])Cl

InChI

InChI=1S/C12H14BrClN2O3/c1-9-2-3-10-11(8-9)16(18,6-5-15(10)14)12(17)19-7-4-13/h2-3,8H,4-7H2,1H3