[2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-ylphenyl)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [2-(4-isopropylphenyl)-2-oxo-ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [2-oxo-2-(4-propan-2-ylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylphenyl)ethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (2-keto-2-p-cumenyl-ethyl) ester Formula: C21H23NO7 MolecularWeight: 401.40982

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7/c1-5-28-20-10-16(17(22(25)26)11-19(20)27-4)21(24)29-12-18(23)15-8-6-14(7-9-15)13(2)3/h6-11,13H,5,12H2,1-4H3