tert-butyl 3-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-[2-(4-bromophenyl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-3-oxo-propanoate CAS Name: 3-[2-[(4-bromophenyl)-oxomethyl]-1-pyrazolidinyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-3-oxopropanoate Traditional Name: 3-[2-(4-bromobenzoyl)pyrazolidin-1-yl]-3-keto-propionic acid tert-butyl ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)N1CCCN1C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)N1CCCN1C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H21BrN2O4/c1-17(2,3)24-15(22)11-14(21)19-9-4-10-20(19)16(23)12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3