(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[oxo-(4-propylphenyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-propylbenzoyl)acrylonitrile Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(=CC2=CC3=C(C=C2)OCCO3)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)/C(=C/C2=CC3=C(C=C2)OCCO3)/C#N

InChI

InChI=1S/C21H19NO3/c1-2-3-15-4-7-17(8-5-15)21(23)18(14-22)12-16-6-9-19-20(13-16)25-11-10-24-19/h4-9,12-13H,2-3,10-11H2,1H3/b18-12+