tert-butyl 2-[(Z)-2-(4-chlorophenyl)-2-cyano-ethenyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(Z)-2-(4-chlorophenyl)-2-cyano-ethenyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(Z)-2-(4-chlorophenyl)-2-cyano-vinyl]pyrrole-1-carboxylate CAS Name: 2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl]pyrrole-1-carboxylate Traditional Name: 2-[(Z)-2-(4-chlorophenyl)-2-cyano-vinyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C18H17ClN2O2 MolecularWeight: 328.79278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C=C(C#N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1/C=C(\C#N)/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClN2O2/c1-18(2,3)23-17(22)21-10-4-5-16(21)11-14(12-20)13-6-8-15(19)9-7-13/h4-11H,1-3H3/b14-11+