(2S)-2-azanyl-3-(3-oxidanylidene-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoic acid

Systemtic Name: (2S)-2-azanyl-3-(3-oxidanylidene-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoic acid Openeye Name: (2S)-2-amino-3-(3-oxo-6H-cyclohepta[d]isoxazol-4-yl)propanoic acid CAS Name: (2S)-2-amino-3-(3-oxo-6H-cyclohepta[d]isoxazol-4-yl)propanoic acid IUPAC Name: (2S)-2-amino-3-(3-oxo-6H-cyclohepta[d][1,2]oxazol-4-yl)propanoic acid Traditional Name: (2S)-2-amino-3-(3-keto-6H-cyclohept[d]isoxazol-4-yl)propionic acid Formula: C11H12N2O4 MolecularWeight: 236.22398

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C(C(=C1)CC(C(=O)O)N)C(=O)NO2

Isomeric SMILES

C1C=CC2=C(C(=C1)C[C@@H](C(=O)O)N)C(=O)NO2

InChI

InChI=1S/C11H12N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h2-4,7H,1,5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1