[3-methylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [3-methylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [5-hydroxy-3-methylene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [5-hydroxy-3-methylene-5-(trifluoromethyl)-1-pyrazolidinyl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [5-hydroxy-3-methylene-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C13H12F3N3O4 MolecularWeight: 331.24729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(CC(=C)N2)(C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(CC(=C)N2)(C(F)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12F3N3O4/c1-7-3-4-9(5-10(7)19(22)23)11(20)18-12(21,13(14,15)16)6-8(2)17-18/h3-5,17,21H,2,6H2,1H3