2-(cyclohexylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydro-1-benzofuran-4-one

Systemtic Name: 2-(cyclohexylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydro-1-benzofuran-4-one Openeye Name: 2-(cyclohexylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydrobenzofuran-4-one CAS Name: 2-(cyclohexylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydrobenzofuran-4-one IUPAC Name: 2-(cyclohexylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydro-1-benzofuran-4-one Traditional Name: 2-(cyclohexylamino)-6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydrobenzofuran-4-one Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=C(O2)NC3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=C(O2)NC3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H26N2O4/c1-22(2)12-17(25)20-18(13-22)28-21(23-15-6-4-3-5-7-15)19(20)14-8-10-16(11-9-14)24(26)27/h8-11,15,23H,3-7,12-13H2,1-2H3