3-bromanyl-2-[3-methyl-1,4-bis(oxidanidyl)quinoxalin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-bromanyl-2-[3-methyl-1,4-bis(oxidanidyl)quinoxalin-1-ium-1-yl]propanoic acid Openeye Name: 3-bromo-2-(3-methyl-1,4-dioxido-quinoxalin-1-ium-1-yl)propanoic acid CAS Name: 3-bromo-2-(3-methyl-1,4-dioxido-1-quinoxalin-1-iumyl)propanoic acid IUPAC Name: 3-bromo-2-(3-methyl-1,4-dioxidoquinoxalin-1-ium-1-yl)propanoic acid Traditional Name: 3-bromo-2-(3-methyl-1,4-dioxido-quinoxalin-1-ium-1-yl)propionic acid Formula: C12H12BrN2O4- MolecularWeight: 328.13868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](C2=CC=CC=C2N1[O-])(C(CBr)C(=O)O)[O-]

Isomeric SMILES

CC1=C[N+](C2=CC=CC=C2N1[O-])(C(CBr)C(=O)O)[O-]

InChI

InChI=1S/C12H12BrN2O4/c1-8-7-15(19,11(6-13)12(16)17)10-5-3-2-4-9(10)14(8)18/h2-5,7,11H,6H2,1H3,(H,16,17)/q-1