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

Systemtic Name: methyl (2S)-3-methyl-2-[(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(1-oxidobenzofurazan-1-ium-5-carbonyl)amino]butyric acid methyl ester Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c1-7(2)11(13(18)20-3)14-12(17)8-4-5-10-9(6-8)15-21-16(10)19/h4-7,11H,1-3H3,(H,14,17)/t11-/m0/s1