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

Systemtic Name: tert-butyl 3-(2-chloroethyl)-4-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-(2-chloroethyl)-4-methyl-1H-pyrrole-2-carboxylate CAS Name: 3-(2-chloroethyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-chloroethyl)-4-methyl-1H-pyrrole-2-carboxylate Traditional Name: 3-(2-chloroethyl)-4-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C12H18ClNO2 MolecularWeight: 243.72982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1CCCl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CNC(=C1CCCl)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H18ClNO2/c1-8-7-14-10(9(8)5-6-13)11(15)16-12(2,3)4/h7,14H,5-6H2,1-4H3