[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (2-keto-2-mesityl-ethyl) ester Formula: C20H21NO6 MolecularWeight: 371.38384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO6/c1-5-26-18-7-6-15(10-16(18)21(24)25)20(23)27-11-17(22)19-13(3)8-12(2)9-14(19)4/h6-10H,5,11H2,1-4H3