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

Systemtic Name: (E)-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C22H17IN2O MolecularWeight: 452.28765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=C(C#N)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=C(\C#N)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17IN2O/c1-15-12-18(16(2)25(15)21-10-8-20(23)9-11-21)13-19(14-24)22(26)17-6-4-3-5-7-17/h3-13H,1-2H3/b19-13+