(E)-2-(4-tert-butylphenyl)carbonyl-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-tert-butylphenyl)carbonyl-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-tert-butylbenzoyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-[(4-tert-butylphenyl)-oxomethyl]-3-(7-methoxy-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(4-tert-butylbenzoyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-tert-butylbenzoyl)-3-(7-methoxy-1,3-benzodioxol-5-yl)acrylonitrile Formula: C22H21NO4 MolecularWeight: 363.40644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO4/c1-22(2,3)17-7-5-15(6-8-17)20(24)16(12-23)9-14-10-18(25-4)21-19(11-14)26-13-27-21/h5-11H,13H2,1-4H3/b16-9+