[3-ethylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [3-ethylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(2-nitrophenyl)methanone Openeye Name: [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(2-nitrophenyl)methanone CAS Name: [3-ethylidene-5-hydroxy-5-(trifluoromethyl)-1-pyrazolidinyl]-(2-nitrophenyl)methanone IUPAC Name: [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(2-nitrophenyl)methanone Traditional Name: [3-ethylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(2-nitrophenyl)methanone Formula: C13H12F3N3O4 MolecularWeight: 331.24729

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CC(N(N1)C(=O)C2=CC=CC=C2[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

CC=C1CC(N(N1)C(=O)C2=CC=CC=C2[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C13H12F3N3O4/c1-2-8-7-12(21,13(14,15)16)18(17-8)11(20)9-5-3-4-6-10(9)19(22)23/h2-6,17,21H,7H2,1H3