4-[(3R,4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazolidin-1-yl]benzoate

Systemtic Name: 4-[(3R,4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-5-oxidanylidene-pyrazolidin-1-yl]benzoate Openeye Name: 4-[(3R,4E)-4-[[5-(4-bromophenyl)-2-furyl]methylene]-3-methyl-5-oxo-pyrazolidin-1-yl]benzoate CAS Name: 4-[(3R,4E)-4-[[5-(4-bromophenyl)-2-furanyl]methylidene]-3-methyl-5-oxo-1-pyrazolidinyl]benzoate IUPAC Name: 4-[(3R,4E)-4-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazolidin-1-yl]benzoate Traditional Name: 4-[(3R,4E)-4-[[5-(4-bromophenyl)-2-furyl]methylene]-5-keto-3-methyl-pyrazolidin-1-yl]benzoate Formula: C22H16BrN2O4- MolecularWeight: 452.27744

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC=C(O2)C3=CC=C(C=C3)Br)C(=O)N(N1)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C[C@@H]1/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Br)/C(=O)N(N1)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H17BrN2O4/c1-13-19(12-18-10-11-20(29-18)14-2-6-16(23)7-3-14)21(26)25(24-13)17-8-4-15(5-9-17)22(27)28/h2-13,24H,1H3,(H,27,28)/p-1/b19-12+/t13-/m1/s1