N-(2-cyanophenyl)-2-(3-methyl-4-nitro-phenoxy)butanamide

Systemtic Name: N-(2-cyanophenyl)-2-(3-methyl-4-nitro-phenoxy)butanamide Openeye Name: N-(2-cyanophenyl)-2-(3-methyl-4-nitro-phenoxy)butanamide CAS Name: N-(2-cyanophenyl)-2-(3-methyl-4-nitrophenoxy)butanamide IUPAC Name: N-(2-cyanophenyl)-2-(3-methyl-4-nitrophenoxy)butanamide Traditional Name: N-(2-cyanophenyl)-2-(3-methyl-4-nitro-phenoxy)butyramide Formula: C18H17N3O4 MolecularWeight: 339.34528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C#N)OC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C#N)OC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4/c1-3-17(18(22)20-15-7-5-4-6-13(15)11-19)25-14-8-9-16(21(23)24)12(2)10-14/h4-10,17H,3H2,1-2H3,(H,20,22)