2,5-dimethyl-4-nitro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-4-nitro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-4-nitro-N-[(E)-[4-(trifluoromethyl)phenyl]methyleneamino]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-4-nitro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-4-nitro-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-4-nitro-N-[(E)-[4-(trifluoromethyl)benzylidene]amino]pyrazole-3-carboxamide Formula: C14H12F3N5O3 MolecularWeight: 355.27199

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)NN=CC2=CC=C(C=C2)C(F)(F)F)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)N/N=C/C2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C14H12F3N5O3/c1-8-11(22(24)25)12(21(2)20-8)13(23)19-18-7-9-3-5-10(6-4-9)14(15,16)17/h3-7H,1-2H3,(H,19,23)/b18-7+