[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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