6-[(E)-2-[4-methoxy-5,5-dimethyl-2-(3-methyl-4-nitro-phenyl)cyclopenten-1-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 6-[(E)-2-[4-methoxy-5,5-dimethyl-2-(3-methyl-4-nitro-phenyl)cyclopenten-1-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 4-hydroxy-6-[(E)-2-[4-methoxy-5,5-dimethyl-2-(3-methyl-4-nitro-phenyl)cyclopenten-1-yl]vinyl]tetrahydropyran-2-one CAS Name: 4-hydroxy-6-[(E)-2-[4-methoxy-5,5-dimethyl-2-(3-methyl-4-nitrophenyl)-1-cyclopentenyl]ethenyl]-2-oxanone IUPAC Name: 4-hydroxy-6-[(E)-2-[4-methoxy-5,5-dimethyl-2-(3-methyl-4-nitrophenyl)cyclopenten-1-yl]ethenyl]oxan-2-one Traditional Name: 4-hydroxy-6-[(E)-2-[4-methoxy-5,5-dimethyl-2-(3-methyl-4-nitro-phenyl)cyclopenten-1-yl]vinyl]tetrahydropyran-2-one Formula: C22H27NO6 MolecularWeight: 401.45288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C(C(C2)OC)(C)C)C=CC3CC(CC(=O)O3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C(C(C2)OC)(C)C)/C=C/C3CC(CC(=O)O3)O)[N+](=O)[O-]

InChI

InChI=1S/C22H27NO6/c1-13-9-14(5-8-19(13)23(26)27)17-12-20(28-4)22(2,3)18(17)7-6-16-10-15(24)11-21(25)29-16/h5-9,15-16,20,24H,10-12H2,1-4H3/b7-6+