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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)C(=CC2=CC(=C(C(=C2)Cl)OC)OC)C#N

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)OC)OC)/C#N

InChI

InChI=1S/C21H21ClN2O3/c1-6-7-24-13(2)8-17(14(24)3)20(25)16(12-23)9-15-10-18(22)21(27-5)19(11-15)26-4/h6,8-11H,1,7H2,2-5H3/b16-9+