3-(2-hexoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: 3-(2-hexoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: 3-(2-hexoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: 3-(2-hexoxyphenyl)-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: 3-(2-hexoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: 3-(2-hexoxyphenyl)-2-(4-nitrophenyl)acrylonitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C=C(C#N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O3/c1-2-3-4-7-14-26-21-9-6-5-8-18(21)15-19(16-22)17-10-12-20(13-11-17)23(24)25/h5-6,8-13,15H,2-4,7,14H2,1H3