(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-(4-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-p-anisoyl-acrylonitrile Formula: C18H12ClNO4 MolecularWeight: 341.74518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(=CC2=CC3=C(C(=C2)Cl)OCO3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)/C(=C/C2=CC3=C(C(=C2)Cl)OCO3)/C#N

InChI

InChI=1S/C18H12ClNO4/c1-22-14-4-2-12(3-5-14)17(21)13(9-20)6-11-7-15(19)18-16(8-11)23-10-24-18/h2-8H,10H2,1H3/b13-6+