[3-methylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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