(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C)C(C)(C)C

InChI

InChI=1S/C20H22ClNO4/c1-12-8-14(20(3,4)5)9-13(2)17(12)11-26-19(23)16-10-15(22(24)25)6-7-18(16)21/h6-10H,11H2,1-5H3