3-[3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]propanoic acid

Systemtic Name: 3-[3-(bromomethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]propanoic acid Openeye Name: 3-[3-(bromomethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]propanoic acid CAS Name: 3-[3-(bromomethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]propanoic acid IUPAC Name: 3-[3-(bromomethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]propanoic acid Traditional Name: 3-[3-(bromomethyl)-1-keto-4-oxido-quinoxalin-1-ium-2-yl]propionic acid Formula: C12H11BrN2O4 MolecularWeight: 327.13074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C([N+]2=O)CCC(=O)O)CBr)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C([N+]2=O)CCC(=O)O)CBr)[O-]

InChI

InChI=1S/C12H11BrN2O4/c13-7-11-10(5-6-12(16)17)14(18)8-3-1-2-4-9(8)15(11)19/h1-4H,5-7H2,(H,16,17)