2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-1-phenylpropylideneamino]ethanamide

Systemtic Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-1-phenylpropylideneamino]ethanamide Openeye Name: 2-[2-nitro-4-(1,1,3,3-tetramethylbutyl)phenoxy]-N-[(E)-1-phenylpropylideneamino]acetamide CAS Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-1-phenylpropylideneamino]acetamide IUPAC Name: 2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]-N-[(E)-1-phenylpropylideneamino]acetamide Traditional Name: 2-[2-nitro-4-(1,1,3,3-tetramethylbutyl)phenoxy]-N-[(E)-1-phenylpropylideneamino]acetamide Formula: C25H33N3O4 MolecularWeight: 439.54722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)COC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC/C(=N\NC(=O)COC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)[N+](=O)[O-])/C2=CC=CC=C2

InChI

InChI=1S/C25H33N3O4/c1-7-20(18-11-9-8-10-12-18)26-27-23(29)16-32-22-14-13-19(15-21(22)28(30)31)25(5,6)17-24(2,3)4/h8-15H,7,16-17H2,1-6H3,(H,27,29)/b26-20+