2-[(2S)-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-isopropyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-isopropyl-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2OC(C1=O)CC(=O)O

Isomeric SMILES

CC(C)N1C2=CC=CC=C2O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C13H15NO4/c1-8(2)14-9-5-3-4-6-10(9)18-11(13(14)17)7-12(15)16/h3-6,8,11H,7H2,1-2H3,(H,15,16)/t11-/m0/s1