5,5-dimethyl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]cyclohexane-1,3-dione Traditional Name: 2-[3-(3-keto-1,4-benzoxazin-4-yl)propanoyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)CCN2C(=O)COC3=CC=CC=C32)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)CCN2C(=O)COC3=CC=CC=C32)C

InChI

InChI=1S/C19H21NO5/c1-19(2)9-14(22)18(15(23)10-19)13(21)7-8-20-12-5-3-4-6-16(12)25-11-17(20)24/h3-6,18H,7-11H2,1-2H3