[1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7/c1-13(20(24)14-7-9-15(10-8-14)22(2,3)4)30-21(25)16-11-18(28-5)19(29-6)12-17(16)23(26)27/h7-13H,1-6H3