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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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