[2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-nitrobenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl] 3-nitrobenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-cyclohexen-1-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5,5-dimethyl-3-oxocyclohexen-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(2,4-dimethylphenyl)-3-keto-5,5-dimethyl-cyclohexen-1-yl] ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(CC(CC2=O)(C)C)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H23NO5/c1-14-8-9-18(15(2)10-14)21-19(25)12-23(3,4)13-20(21)29-22(26)16-6-5-7-17(11-16)24(27)28/h5-11H,12-13H2,1-4H3