(E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)carbonyl-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-3-(3-ethoxy-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(3-ethoxy-4-hydroxy-phenyl)acrylonitrile Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=C(N(C(=C2)C)CC=C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=C(N(C(=C2)C)CC=C)C)O

InChI

InChI=1S/C21H22N2O3/c1-5-9-23-14(3)10-18(15(23)4)21(25)17(13-22)11-16-7-8-19(24)20(12-16)26-6-2/h5,7-8,10-12,24H,1,6,9H2,2-4H3/b17-11+