(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C21H23NO7 MolecularWeight: 401.40982

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-])OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7/c1-11-7-12(2)20(14(4)23)13(3)16(11)10-29-21(24)15-8-18(27-5)19(28-6)9-17(15)22(25)26/h7-9H,10H2,1-6H3