(2S,3S)-6,6-dimethyl-2-(4-nitrophenyl)-3-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-one

Systemtic Name: (2S,3S)-6,6-dimethyl-2-(4-nitrophenyl)-3-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-one Openeye Name: (2S,3S)-6,6-dimethyl-2-(4-nitrophenyl)-3-phenyl-2,3,5,7-tetrahydrobenzofuran-4-one CAS Name: (2S,3S)-6,6-dimethyl-2-(4-nitrophenyl)-3-phenyl-2,3,5,7-tetrahydrobenzofuran-4-one IUPAC Name: (2S,3S)-6,6-dimethyl-2-(4-nitrophenyl)-3-phenyl-2,3,5,7-tetrahydro-1-benzofuran-4-one Traditional Name: (2S,3S)-6,6-dimethyl-2-(4-nitrophenyl)-3-phenyl-2,3,5,7-tetrahydrobenzofuran-4-one Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@@H]([C@H](O2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)C1)C

InChI

InChI=1S/C22H21NO4/c1-22(2)12-17(24)20-18(13-22)27-21(19(20)14-6-4-3-5-7-14)15-8-10-16(11-9-15)23(25)26/h3-11,19,21H,12-13H2,1-2H3/t19-,21+/m0/s1