4-[(cyclopropylamino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 4-[(cyclopropylamino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4-[(cyclopropylamino)methylene]-2-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 4-[(cyclopropylamino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 4-[(cyclopropylamino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 4-[(cyclopropylamino)methylene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C14H11F3N4O3 MolecularWeight: 340.25735

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC1NC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H11F3N4O3/c15-14(16,17)12-11(7-18-8-1-2-8)13(22)20(19-12)9-3-5-10(6-4-9)21(23)24/h3-8,18H,1-2H2