(2S)-2-[(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)carbonylamino]propanoic acid Openeye Name: (2S)-2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]propanoic acid CAS Name: (2S)-2-[[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]propanoic acid Traditional Name: (2S)-2-[(3-oxidobenzofurazan-3-ium-5-carbonyl)amino]propionic acid Formula: C10H9N3O5 MolecularWeight: 251.19556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)C1=CC2=[N+](ON=C2C=C1)[O-]

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)C1=CC2=[N+](ON=C2C=C1)[O-]

InChI

InChI=1S/C10H9N3O5/c1-5(10(15)16)11-9(14)6-2-3-7-8(4-6)13(17)18-12-7/h2-5H,1H3,(H,11,14)(H,15,16)/t5-/m0/s1