tert-butyl 3-ethanoyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 3-ethanoyl-4-oxidanylidene-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1-carboxylate Openeye Name: tert-butyl 3-acetyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1-carboxylate CAS Name: 3-acetyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyl-4-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1-carboxylate Traditional Name: 3-acetyl-4-keto-5,6,7,8-tetrahydrocyclohepta[b]pyrrole-1-carboxylic acid tert-butyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C2=C1C(=O)CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)C1=CN(C2=C1C(=O)CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21NO4/c1-10(18)11-9-17(15(20)21-16(2,3)4)12-7-5-6-8-13(19)14(11)12/h9H,5-8H2,1-4H3