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

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-4-26-19-10-9-16(11-17(19)21(24)25)20(23)27-12-18(22)15-7-5-14(6-8-15)13(2)3/h5-11,13H,4,12H2,1-3H3