methyl 3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-(bromomethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-(bromomethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 3-(bromomethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C11H9BrN2O4 MolecularWeight: 313.10416

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CBr

Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CBr

InChI

InChI=1S/C11H9BrN2O4/c1-18-11(15)10-9(6-12)13(16)7-4-2-3-5-8(7)14(10)17/h2-5H,6H2,1H3