(E)-3-(3-chloranyl-5-ethoxy-4-methoxy-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-methoxy-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-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-[(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-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-methoxy-phenyl)acrylonitrile Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3/c1-6-8-25-14(3)9-18(15(25)4)21(26)17(13-24)10-16-11-19(23)22(27-5)20(12-16)28-7-2/h6,9-12H,1,7-8H2,2-5H3/b17-10+