(E)-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)acrylamide Formula: C18H20F3N5O3 MolecularWeight: 411.37831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20F3N5O3/c1-11-14(12(2)25(3)24-11)5-7-17(27)23-9-8-22-15-6-4-13(18(19,20)21)10-16(15)26(28)29/h4-7,10,22H,8-9H2,1-3H3,(H,23,27)/b7-5+