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

Systemtic Name: ethyl 2-[3-[2-cyano-2-(3-cyanophenyl)ethenyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 2-[3-[2-cyano-2-(3-cyanophenyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 2-[3-[2-cyano-2-(3-cyanophenyl)ethenyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-cyano-2-(3-cyanophenyl)ethenyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 2-[3-[2-cyano-2-(3-cyanophenyl)vinyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2C(=CC(=C2C)C=C(C#N)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2C(=CC(=C2C)C=C(C#N)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C25H21N3O2/c1-4-30-25(29)23-10-5-6-11-24(23)28-17(2)12-21(18(28)3)14-22(16-27)20-9-7-8-19(13-20)15-26/h5-14H,4H2,1-3H3