[2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,3,5,6-tetramethylphenyl)ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(2,3,5,6-tetramethylphenyl)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C)C

InChI

InChI=1S/C20H21NO5/c1-11-8-12(2)15(5)19(14(11)4)18(22)10-26-20(23)16-6-7-17(21(24)25)13(3)9-16/h6-9H,10H2,1-5H3