(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enenitrile CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)acrylonitrile Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC3=C(C=C2)OCCO3)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC3=C(C=C2)OCCO3)/C#N

InChI

InChI=1S/C21H20N2O3/c1-4-7-23-14(2)10-18(15(23)3)21(24)17(13-22)11-16-5-6-19-20(12-16)26-9-8-25-19/h4-6,10-12H,1,7-9H2,2-3H3/b17-11+