2-cyano-3-[1-(3-iodanyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide

Systemtic Name: 2-cyano-3-[1-(3-iodanyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide Openeye Name: 2-cyano-3-[1-(3-iodo-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enamide CAS Name: 2-cyano-3-[1-(3-iodo-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenamide IUPAC Name: 2-cyano-3-[1-(3-iodo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enamide Traditional Name: 2-cyano-3-[1-(3-iodo-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]acrylamide Formula: C17H16IN3O MolecularWeight: 405.23291

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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)N)C)I

Isomeric SMILES

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

InChI

InChI=1S/C17H16IN3O/c1-10-4-5-15(8-16(10)18)21-11(2)6-13(12(21)3)7-14(9-19)17(20)22/h4-8H,1-3H3,(H2,20,22)