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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=CC=CC=C2O1)CC(=O)O

Isomeric SMILES

CC(C)C1C(=O)N(C2=CC=CC=C2O1)CC(=O)O

InChI

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