tert-butyl 2,5-dimethyl-4-(2-oxidanylidenepropyl)-1H-pyrrole-3-carboxylate

Systemtic Name: tert-butyl 2,5-dimethyl-4-(2-oxidanylidenepropyl)-1H-pyrrole-3-carboxylate Openeye Name: tert-butyl 4-acetonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-(2-oxopropyl)-1H-pyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,5-dimethyl-4-(2-oxopropyl)-1H-pyrrole-3-carboxylate Traditional Name: 4-acetonyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid tert-butyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC(C)(C)C)CC(=O)C

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC(C)(C)C)CC(=O)C

InChI

InChI=1S/C14H21NO3/c1-8(16)7-11-9(2)15-10(3)12(11)13(17)18-14(4,5)6/h15H,7H2,1-6H3