3-[(2R)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2R)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-2-ethyl-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)O

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)O

InChI

InChI=1S/C13H15NO4/c1-2-10-13(17)14(8-7-12(15)16)9-5-3-4-6-11(9)18-10/h3-6,10H,2,7-8H2,1H3,(H,15,16)/t10-/m1/s1