[3-oxidanylidene-1-(2,4,5-trimethoxyphenyl)butan-2-yl] 4-nitrobenzoate

Systemtic Name: [3-oxidanylidene-1-(2,4,5-trimethoxyphenyl)butan-2-yl] 4-nitrobenzoate Openeye Name: [2-oxo-1-[(2,4,5-trimethoxyphenyl)methyl]propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-oxo-1-(2,4,5-trimethoxyphenyl)butan-2-yl] ester IUPAC Name: [3-oxo-1-(2,4,5-trimethoxyphenyl)butan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-1-(2,4,5-trimethoxybenzyl)propyl] ester Formula: C20H21NO8 MolecularWeight: 403.38264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=C(C=C1OC)OC)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(CC1=CC(=C(C=C1OC)OC)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21NO8/c1-12(22)16(29-20(23)13-5-7-15(8-6-13)21(24)25)9-14-10-18(27-3)19(28-4)11-17(14)26-2/h5-8,10-11,16H,9H2,1-4H3