(2S)-2-azido-3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butanoic acid

Systemtic Name: (2S)-2-azido-3,3-dimethyl-4-oxidanylidene-4-phenylmethoxy-butanoic acid Openeye Name: (2S)-2-azido-4-benzyloxy-3,3-dimethyl-4-oxo-butanoic acid CAS Name: (2S)-2-azido-3,3-dimethyl-4-oxo-4-phenylmethoxybutanoic acid IUPAC Name: (2S)-2-azido-3,3-dimethyl-4-oxo-4-phenylmethoxybutanoic acid Traditional Name: (2S)-2-azido-4-benzoxy-4-keto-3,3-dimethyl-butyric acid Formula: C13H15N3O4 MolecularWeight: 277.2759

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N=[N+]=[N-])C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)([C@@H](C(=O)O)N=[N+]=[N-])C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H15N3O4/c1-13(2,10(11(17)18)15-16-14)12(19)20-8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,17,18)/t10-/m1/s1