1-[5-(4-bromophenyl)-3-methylidene-5-oxidanyl-pyrazolidin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[5-(4-bromophenyl)-3-methylidene-5-oxidanyl-pyrazolidin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[5-(4-bromophenyl)-5-hydroxy-3-methylene-pyrazolidin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[5-(4-bromophenyl)-5-hydroxy-3-methylene-1-pyrazolidinyl]-2-methyl-1-propanone IUPAC Name: 1-[5-(4-bromophenyl)-5-hydroxy-3-methylidenepyrazolidin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[5-(4-bromophenyl)-5-hydroxy-3-methylene-pyrazolidin-1-yl]-2-methyl-propan-1-one Formula: C14H17BrN2O2 MolecularWeight: 325.20098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C(CC(=C)N1)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CC(C)C(=O)N1C(CC(=C)N1)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C14H17BrN2O2/c1-9(2)13(18)17-14(19,8-10(3)16-17)11-4-6-12(15)7-5-11/h4-7,9,16,19H,3,8H2,1-2H3