tert-butyl 2-[2-[(4-bromophenyl)carbamoyl]-5-oxidanylidene-3,4-diphenyl-pyrazolidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-[(4-bromophenyl)carbamoyl]-5-oxidanylidene-3,4-diphenyl-pyrazolidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-[(4-bromophenyl)carbamoyl]-5-oxo-3,4-diphenyl-pyrazolidin-1-yl]acetate CAS Name: 2-[2-[(4-bromoanilino)-oxomethyl]-5-oxo-3,4-diphenyl-1-pyrazolidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(4-bromophenyl)carbamoyl]-5-oxo-3,4-diphenylpyrazolidin-1-yl]acetate Traditional Name: 2-[2-[(4-bromophenyl)carbamoyl]-5-keto-3,4-diphenyl-pyrazolidin-1-yl]acetic acid tert-butyl ester Formula: C28H28BrN3O4 MolecularWeight: 550.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)C(C(N1C(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)C(C(N1C(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28BrN3O4/c1-28(2,3)36-23(33)18-31-26(34)24(19-10-6-4-7-11-19)25(20-12-8-5-9-13-20)32(31)27(35)30-22-16-14-21(29)15-17-22/h4-17,24-25H,18H2,1-3H3,(H,30,35)