tert-butyl 5-methanoyl-3,4-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 5-methanoyl-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C=O

Isomeric SMILES

CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C=O

InChI

InChI=1S/C12H17NO3/c1-7-8(2)10(13-9(7)6-14)11(15)16-12(3,4)5/h6,13H,1-5H3