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

Systemtic Name: 4-[[(4-methoxyphenyl)amino]methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4-[(4-methoxyanilino)methylene]-2-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 4-[(4-methoxyanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 4-[(4-methoxyanilino)methylidene]-2-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(4-nitrophenyl)-4-(p-anisidinomethylene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C18H13F3N4O4 MolecularWeight: 406.31543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H13F3N4O4/c1-29-14-8-2-11(3-9-14)22-10-15-16(18(19,20)21)23-24(17(15)26)12-4-6-13(7-5-12)25(27)28/h2-10,22H,1H3