4-[(E)-1-cyano-2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)ethenyl]benzoate

Systemtic Name: 4-[(E)-1-cyano-2-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)ethenyl]benzoate Openeye Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]vinyl]benzoate CAS Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]ethenyl]benzoate IUPAC Name: 4-[(E)-1-cyano-2-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)ethenyl]benzoate Traditional Name: 4-[(E)-1-cyano-2-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]vinyl]benzoate Formula: C21H16N3O2- MolecularWeight: 342.37064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C=C(C#N)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C(/C#N)\C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H17N3O2/c1-14-11-18(15(2)24(14)20-5-3-4-10-23-20)12-19(13-22)16-6-8-17(9-7-16)21(25)26/h3-12H,1-2H3,(H,25,26)/p-1/b19-12-