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

Systemtic Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-tert-butylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-tert-butylbenzoyl)prop-2-enenitrile CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-tert-butylbenzoyl)prop-2-enenitrile Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-tert-butylbenzoyl)acrylonitrile Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-21(2,3)17-7-5-15(6-8-17)20(23)16(12-22)10-14-4-9-18-19(11-14)25-13-24-18/h4-11H,13H2,1-3H3/b16-10-