(E)-3-[1-(3-iodanyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[1-(3-iodanyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[1-(3-iodo-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[1-(3-iodo-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[1-(3-iodo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[1-(3-iodo-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C23H19IN2O MolecularWeight: 466.31423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)C3=CC=CC=C3)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)C3=CC=CC=C3)C)I

InChI

InChI=1S/C23H19IN2O/c1-15-9-10-21(13-22(15)24)26-16(2)11-19(17(26)3)12-20(14-25)23(27)18-7-5-4-6-8-18/h4-13H,1-3H3/b20-12+