tert-butyl 5-oxidanylidene-3-(phenylcarbonyl)-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanylidene-3-(phenylcarbonyl)-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl 3-benzoyl-5-oxo-2H-pyrrole-1-carboxylate CAS Name: 3-benzoyl-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzoyl-5-oxo-2H-pyrrole-1-carboxylate Traditional Name: 4-benzoyl-2-keto-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=CC1=O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=CC1=O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H17NO4/c1-16(2,3)21-15(20)17-10-12(9-13(17)18)14(19)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3