tert-butyl 5-oxidanylidene-3,4-diphenyl-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanylidene-3,4-diphenyl-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl 5-oxo-3,4-diphenyl-2H-pyrrole-1-carboxylate CAS Name: 5-oxo-3,4-diphenyl-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-oxo-3,4-diphenyl-2H-pyrrole-1-carboxylate Traditional Name: 2-keto-3,4-diphenyl-3-pyrroline-1-carboxylic acid tert-butyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-21(2,3)25-20(24)22-14-17(15-10-6-4-7-11-15)18(19(22)23)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3