4-[4-(3-methyl-4-nitro-phenoxy)butoxy]benzenecarbonitrile

Systemtic Name: 4-[4-(3-methyl-4-nitro-phenoxy)butoxy]benzenecarbonitrile Openeye Name: 4-[4-(3-methyl-4-nitro-phenoxy)butoxy]benzonitrile CAS Name: 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile IUPAC Name: 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile Traditional Name: 4-[4-(3-methyl-4-nitro-phenoxy)butoxy]benzonitrile Formula: C18H18N2O4 MolecularWeight: 326.34652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCOC2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCOC2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c1-14-12-17(8-9-18(14)20(21)22)24-11-3-2-10-23-16-6-4-15(13-19)5-7-16/h4-9,12H,2-3,10-11H2,1H3