methyl 7-bromanyl-3-methyl-4-oxidanidyl-quinoxalin-4-ium-2-carboxylate

Systemtic Name: methyl 7-bromanyl-3-methyl-4-oxidanidyl-quinoxalin-4-ium-2-carboxylate Openeye Name: methyl 7-bromo-3-methyl-4-oxido-quinoxalin-4-ium-2-carboxylate CAS Name: 7-bromo-3-methyl-4-oxido-2-quinoxalin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl 7-bromo-3-methyl-4-oxidoquinoxalin-4-ium-2-carboxylate Traditional Name: 7-bromo-3-methyl-4-oxido-quinoxalin-4-ium-2-carboxylic acid methyl ester Formula: C11H9BrN2O3 MolecularWeight: 297.10476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C(C=C2)Br)N=C1C(=O)OC)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C=C(C=C2)Br)N=C1C(=O)OC)[O-]

InChI

InChI=1S/C11H9BrN2O3/c1-6-10(11(15)17-2)13-8-5-7(12)3-4-9(8)14(6)16/h3-5H,1-2H3