4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(4-methyl-3-nitro-phenyl)butanamide

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-(4-methyl-3-nitro-phenyl)butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(4-methyl-3-nitro-phenyl)butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-(4-methyl-3-nitro-phenyl)butyramide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H25BrN2O4/c1-14-7-9-16(13-18(14)24(26)27)23-20(25)6-5-11-28-19-10-8-15(12-17(19)22)21(2,3)4/h7-10,12-13H,5-6,11H2,1-4H3,(H,23,25)