2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-oxidanylidene-azetidin-3-yl]isoindole-1,3-dione Openeye Name: 2-[2-(3,5-dimethylisoxazol-4-yl)-4-oxo-azetidin-3-yl]isoindoline-1,3-dione CAS Name: 2-[2-(3,5-dimethyl-4-isoxazolyl)-4-oxo-3-azetidinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-oxoazetidin-3-yl]isoindole-1,3-dione Traditional Name: 2-[2-(3,5-dimethylisoxazol-4-yl)-4-keto-azetidin-3-yl]isoindoline-1,3-quinone Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C2C(C(=O)N2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=NO1)C)C2C(C(=O)N2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C16H13N3O4/c1-7-11(8(2)23-18-7)12-13(14(20)17-12)19-15(21)9-5-3-4-6-10(9)16(19)22/h3-6,12-13H,1-2H3,(H,17,20)