2-(4-bromophenyl)-3-(3-chloranyl-5-ethoxy-4-octoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(4-bromophenyl)-3-(3-chloranyl-5-ethoxy-4-octoxy-phenyl)prop-2-enenitrile Openeye Name: 2-(4-bromophenyl)-3-(3-chloro-5-ethoxy-4-octoxy-phenyl)prop-2-enenitrile CAS Name: 2-(4-bromophenyl)-3-(3-chloro-5-ethoxy-4-octoxyphenyl)-2-propenenitrile IUPAC Name: 2-(4-bromophenyl)-3-(3-chloro-5-ethoxy-4-octoxyphenyl)prop-2-enenitrile Traditional Name: 2-(4-bromophenyl)-3-(3-chloro-5-ethoxy-4-octoxy-phenyl)acrylonitrile Formula: C25H29BrClNO2 MolecularWeight: 490.86026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C(C#N)C2=CC=C(C=C2)Br)OCC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Cl)C=C(C#N)C2=CC=C(C=C2)Br)OCC

InChI

InChI=1S/C25H29BrClNO2/c1-3-5-6-7-8-9-14-30-25-23(27)16-19(17-24(25)29-4-2)15-21(18-28)20-10-12-22(26)13-11-20/h10-13,15-17H,3-9,14H2,1-2H3