N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(2-nitropyridin-3-yl)oxy-ethanamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-(2-nitropyridin-3-yl)oxy-ethanamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-[(2-nitro-3-pyridinyl)oxy]acetamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2-nitropyridin-3-yl)oxyacetamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-2-[(2-nitro-3-pyridyl)oxy]acetamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)COC2=C(N=CC=C2)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C21H27N3O4/c1-14-11-16(21(3,4)5)12-15(2)17(14)8-10-22-19(25)13-28-18-7-6-9-23-20(18)24(26)27/h6-7,9,11-12H,8,10,13H2,1-5H3,(H,22,25)