5,5-dimethyl-2-[3-(4-oxidanylidene-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propanoyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[3-(4-oxidanylidene-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propanoyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[3-(4-oxo-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propanoyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-oxo-3-(4-oxo-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[3-(4-oxo-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propanoyl]cyclohexane-1,3-dione Traditional Name: 2-[3-(4-keto-6,7-dihydro-5H-indoxazen-3-yl)propanoyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)CCC2=NOC3=C2C(=O)CCC3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)CCC2=NOC3=C2C(=O)CCC3)C

InChI

InChI=1S/C18H21NO5/c1-18(2)8-13(22)17(14(23)9-18)12(21)7-6-10-16-11(20)4-3-5-15(16)24-19-10/h17H,3-9H2,1-2H3