tert-butyl 5-(acetyloxymethyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-(acetyloxymethyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-(acetoxymethyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-(acetyloxymethyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(acetyloxymethyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-(acetoxymethyl)-4-(2-chloroethyl)-3-methyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C15H22ClNO4 MolecularWeight: 315.79248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCCl)COC(=O)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(NC(=C1CCCl)COC(=O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H22ClNO4/c1-9-11(6-7-16)12(8-20-10(2)18)17-13(9)14(19)21-15(3,4)5/h17H,6-8H2,1-5H3