(4-tert-butylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-tert-butylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (4-tert-butylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (4-tert-butylbenzyl) ester Formula: C20H24N2O4 MolecularWeight: 356.41556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4/c1-20(2,3)16-9-6-14(7-10-16)13-26-19(23)15-8-11-17(21(4)5)18(12-15)22(24)25/h6-12H,13H2,1-5H3