2-[1H-indol-3-yl-(4-nitrophenyl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: 2-[1H-indol-3-yl-(4-nitrophenyl)methyl]-5,5-dimethyl-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: 3-hydroxy-2-[1H-indol-3-yl-(4-nitrophenyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-2-[1H-indol-3-yl-(4-nitrophenyl)methyl]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-hydroxy-2-[1H-indol-3-yl-(4-nitrophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-hydroxy-2-[1H-indol-3-yl-(4-nitrophenyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CNC4=CC=CC=C43)O)C

InChI

InChI=1S/C23H22N2O4/c1-23(2)11-19(26)22(20(27)12-23)21(14-7-9-15(10-8-14)25(28)29)17-13-24-18-6-4-3-5-16(17)18/h3-10,13,21,24,26H,11-12H2,1-2H3