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

Systemtic Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate Openeye Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenoate IUPAC Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]acrylate Formula: C16H12IN2O2- MolecularWeight: 391.18315

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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)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=C(\C#N)/C(=O)[O-]

InChI

InChI=1S/C16H13IN2O2/c1-10-7-12(8-13(9-18)16(20)21)11(2)19(10)15-5-3-14(17)4-6-15/h3-8H,1-2H3,(H,20,21)/p-1/b13-8+