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

Systemtic Name: ethyl 4-[3-[(Z)-2-cyano-2-pyridin-2-yl-ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(Z)-2-cyano-2-(2-pyridyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(Z)-2-cyano-2-(2-pyridinyl)ethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(Z)-2-cyano-2-(2-pyridyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C23H21N3O2 MolecularWeight: 371.43174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C3=CC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C3=CC=CC=N3)C

InChI

InChI=1S/C23H21N3O2/c1-4-28-23(27)18-8-10-21(11-9-18)26-16(2)13-19(17(26)3)14-20(15-24)22-7-5-6-12-25-22/h5-14H,4H2,1-3H3/b20-14+