[3-butylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [3-butylidene-5-oxidanyl-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [3-butylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-nitrophenyl)methanone CAS Name: [3-butylidene-5-hydroxy-5-(trifluoromethyl)-1-pyrazolidinyl]-(4-nitrophenyl)methanone IUPAC Name: [3-butylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [3-butylidene-5-hydroxy-5-(trifluoromethyl)pyrazolidin-1-yl]-(4-nitrophenyl)methanone Formula: C15H16F3N3O4 MolecularWeight: 359.30045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16F3N3O4/c1-2-3-4-11-9-14(23,15(16,17)18)20(19-11)13(22)10-5-7-12(8-6-10)21(24)25/h4-8,19,23H,2-3,9H2,1H3