O1-ethyl O3-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-(4-ethylphenyl)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO7/c1-4-14-6-8-15(9-7-14)19(23)13(3)29-21(25)17-10-16(20(24)28-5-2)11-18(12-17)22(26)27/h6-13H,4-5H2,1-3H3