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

Systemtic Name: 2-[3-(4-oxidanylidene-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propanoyl]cyclohexane-1,3-dione Openeye Name: 2-[3-(4-oxo-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propanoyl]cyclohexane-1,3-dione CAS Name: 2-[1-oxo-3-(4-oxo-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propyl]cyclohexane-1,3-dione IUPAC Name: 2-[3-(4-oxo-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-3-yl)propanoyl]cyclohexane-1,3-dione Traditional Name: 2-[3-(4-keto-6-phenyl-6,7-dihydro-5H-indoxazen-3-yl)propanoyl]cyclohexane-1,3-quinone Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C(=O)CCC2=NOC3=C2C(=O)CC(C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C(=O)CCC2=NOC3=C2C(=O)CC(C3)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO5/c24-16-7-4-8-17(25)22(16)18(26)10-9-15-21-19(27)11-14(12-20(21)28-23-15)13-5-2-1-3-6-13/h1-3,5-6,14,22H,4,7-12H2