3-bromanyl-2-[3-methyl-1,4-bis(oxidanidyl)-4H-quinoxaline-1,4-diium-1-yl]propanoic acid

Systemtic Name: 3-bromanyl-2-[3-methyl-1,4-bis(oxidanidyl)-4H-quinoxaline-1,4-diium-1-yl]propanoic acid Openeye Name: 3-bromo-2-(3-methyl-1,4-dioxido-4H-quinoxaline-1,4-diium-1-yl)propanoic acid CAS Name: 3-bromo-2-(3-methyl-1,4-dioxido-4H-quinoxaline-1,4-diium-1-yl)propanoic acid IUPAC Name: 3-bromo-2-(3-methyl-1,4-dioxido-4H-quinoxaline-1,4-diium-1-yl)propanoic acid Traditional Name: 3-bromo-2-(3-methyl-1,4-dioxido-4H-quinoxaline-1,4-diium-1-yl)propionic acid Formula: C12H13BrN2O4 MolecularWeight: 329.14662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](C2=CC=CC=C2[NH+]1[O-])(C(CBr)C(=O)O)[O-]

Isomeric SMILES

CC1=C[N+](C2=CC=CC=C2[NH+]1[O-])(C(CBr)C(=O)O)[O-]

InChI

InChI=1S/C12H13BrN2O4/c1-8-7-15(19,11(6-13)12(16)17)10-5-3-2-4-9(10)14(8)18/h2-5,7,11,14H,6H2,1H3,(H,16,17)