2-azanyl-3-[3-oxidanylidene-5-(phenylmethyl)-1,2-oxazol-4-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-oxidanylidene-5-(phenylmethyl)-1,2-oxazol-4-yl]propanoic acid Openeye Name: 2-amino-3-(5-benzyl-3-oxo-isoxazol-4-yl)propanoic acid CAS Name: 2-amino-3-[3-oxo-5-(phenylmethyl)-4-isoxazolyl]propanoic acid IUPAC Name: 2-amino-3-(5-benzyl-3-oxo-1,2-oxazol-4-yl)propanoic acid Traditional Name: 2-amino-3-(5-benzyl-3-keto-4-isoxazolin-4-yl)propionic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c14-10(13(17)18)7-9-11(19-15-12(9)16)6-8-4-2-1-3-5-8/h1-5,10H,6-7,14H2,(H,15,16)(H,17,18)