[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 3-methyl-2-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C19H19NO5 MolecularWeight: 341.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C19H19NO5/c1-12(2)14-7-9-15(10-8-14)17(21)11-25-19(22)16-6-4-5-13(3)18(16)20(23)24/h4-10,12H,11H2,1-3H3