tert-butyl 2-[2,4-bis(4-chlorophenyl)-3-cyano-pyrrol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[2,4-bis(4-chlorophenyl)-3-cyano-pyrrol-1-yl]ethanoate Openeye Name: tert-butyl 2-[2,4-bis(4-chlorophenyl)-3-cyano-pyrrol-1-yl]acetate CAS Name: 2-[2,4-bis(4-chlorophenyl)-3-cyano-1-pyrrolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2,4-bis(4-chlorophenyl)-3-cyanopyrrol-1-yl]acetate Traditional Name: 2-[2,4-bis(4-chlorophenyl)-3-cyano-pyrrol-1-yl]acetic acid tert-butyl ester Formula: C23H20Cl2N2O2 MolecularWeight: 427.3231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=C(C(=C1C2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=C(C(=C1C2=CC=C(C=C2)Cl)C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H20Cl2N2O2/c1-23(2,3)29-21(28)14-27-13-20(15-4-8-17(24)9-5-15)19(12-26)22(27)16-6-10-18(25)11-7-16/h4-11,13H,14H2,1-3H3