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

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-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-(4-hydroxy-3,5-dimethyl-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-3-(4-hydroxy-3,5-dimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(2,5-dimethyl-1-prop-2-enylpyrrole-3-carbonyl)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1-allyl-2,5-dimethyl-pyrrole-3-carbonyl)-3-(4-hydroxy-3,5-dimethyl-phenyl)acrylonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C#N)C(=O)C2=C(N(C(=C2)C)CC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C#N)/C(=O)C2=C(N(C(=C2)C)CC=C)C

InChI

InChI=1S/C21H22N2O2/c1-6-7-23-15(4)10-19(16(23)5)21(25)18(12-22)11-17-8-13(2)20(24)14(3)9-17/h6,8-11,24H,1,7H2,2-5H3/b18-11+