2-[2-(3,4-diethoxyphenyl)ethanoyl]-5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)ethanoyl]-5,5-dimethyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one Openeye Name: 2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one CAS Name: 2-[2-(3,4-diethoxyphenyl)-1-oxoethyl]-5,5-dimethyl-3-(3-nitroanilino)-1-cyclohex-2-enone IUPAC Name: 2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one Traditional Name: 2-[2-(3,4-diethoxyphenyl)acetyl]-5,5-dimethyl-3-(3-nitroanilino)cyclohex-2-en-1-one Formula: C26H30N2O6 MolecularWeight: 466.5262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NC3=CC(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)C2=C(CC(CC2=O)(C)C)NC3=CC(=CC=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C26H30N2O6/c1-5-33-23-11-10-17(13-24(23)34-6-2)12-21(29)25-20(15-26(3,4)16-22(25)30)27-18-8-7-9-19(14-18)28(31)32/h7-11,13-14,27H,5-6,12,15-16H2,1-4H3