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

Systemtic Name: 2-(4-nitrophenyl)-4-[(octylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(4-nitrophenyl)-4-[(octylamino)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(4-nitrophenyl)-4-[(octylamino)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(4-nitrophenyl)-4-[(octylamino)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-4-[(octylamino)methylene]-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C19H23F3N4O3 MolecularWeight: 412.40613

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCCCCCCNC=C1C(=NN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H23F3N4O3/c1-2-3-4-5-6-7-12-23-13-16-17(19(20,21)22)24-25(18(16)27)14-8-10-15(11-9-14)26(28)29/h8-11,13,23H,2-7,12H2,1H3