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

Systemtic Name: methyl (2S)-2-[(3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-5-yl)carbonylamino]propanoate Openeye Name: methyl (2S)-2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]propanoate CAS Name: (2S)-2-[[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-oxido-2,1,3-benzoxadiazol-3-ium-5-carbonyl)amino]propanoate Traditional Name: (2S)-2-[(3-oxidobenzofurazan-3-ium-5-carbonyl)amino]propionic acid methyl ester Formula: C11H11N3O5 MolecularWeight: 265.22214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O5/c1-6(11(16)18-2)12-10(15)7-3-4-8-9(5-7)14(17)19-13-8/h3-6H,1-2H3,(H,12,15)/t6-/m0/s1