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

Systemtic Name: (2S)-3-methyl-2-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)carbonylamino]butanoic acid Openeye Name: (2S)-3-methyl-2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)amino]butanoic acid Traditional Name: (2S)-3-methyl-2-[(1-oxidobenzofurazan-1-ium-5-carbonyl)amino]butyric acid Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC2=NO[N+](=C2C=C1)[O-]

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1=CC2=NO[N+](=C2C=C1)[O-]

InChI

InChI=1S/C12H13N3O5/c1-6(2)10(12(17)18)13-11(16)7-3-4-9-8(5-7)14-20-15(9)19/h3-6,10H,1-2H3,(H,13,16)(H,17,18)/t10-/m0/s1