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

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-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-(3-chloro-5-ethoxy-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-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-(3-chloro-5-ethoxy-4-hydroxy-phenyl)acrylonitrile Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-5-7-24-13(3)8-17(14(24)4)20(25)16(12-23)9-15-10-18(22)21(26)19(11-15)27-6-2/h5,8-11,26H,1,6-7H2,2-4H3/b16-9+