tert-butyl 3-(4-cyanophenyl)-4-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-(4-cyanophenyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-(4-cyanophenyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 3-(4-cyanophenyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-cyanophenyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 3-(4-cyanophenyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1C2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CNC(=C1C2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H18N2O2/c1-11-10-19-15(16(20)21-17(2,3)4)14(11)13-7-5-12(9-18)6-8-13/h5-8,10,19H,1-4H3