(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C20H27N3O4 MolecularWeight: 373.44608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C)C)C(C)(C)C

InChI

InChI=1S/C20H27N3O4/c1-12-8-16(20(5,6)7)9-13(2)17(12)11-27-18(24)10-22-15(4)19(23(25)26)14(3)21-22/h8-9H,10-11H2,1-7H3