(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C20H21NO5 MolecularWeight: 355.38444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H21NO5/c1-11-8-13(3)19(15(5)22)14(4)17(11)10-26-20(23)16-6-7-18(21(24)25)12(2)9-16/h6-9H,10H2,1-5H3