[3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl] 2-pyridin-3-ylethanoate

Systemtic Name: [3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl] 2-pyridin-3-ylethanoate Openeye Name: [3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl] 2-(3-pyridyl)acetate CAS Name: 2-(3-pyridinyl)acetic acid [3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-1-pyrrolyl] ester IUPAC Name: [3-cyano-4-(4-cyanophenyl)-2,5-dimethylpyrrol-1-yl] 2-pyridin-3-ylacetate Traditional Name: 2-(3-pyridyl)acetic acid [3-cyano-4-(4-cyanophenyl)-2,5-dimethyl-pyrrol-1-yl] ester Formula: C21H16N4O2 MolecularWeight: 356.37734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1OC(=O)CC2=CN=CC=C2)C)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CC1=C(C(=C(N1OC(=O)CC2=CN=CC=C2)C)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C21H16N4O2/c1-14-19(12-23)21(18-7-5-16(11-22)6-8-18)15(2)25(14)27-20(26)10-17-4-3-9-24-13-17/h3-9,13H,10H2,1-2H3