(E)-2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methoxy-5-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methoxy-5-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-methoxy-5-nitro-phenyl)-3-[3-(trifluoromethyl)phenyl]acrylamide Formula: C18H12F3N3O4 MolecularWeight: 391.30079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=CC2=CC(=CC=C2)C(F)(F)F)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C(=C/C2=CC(=CC=C2)C(F)(F)F)/C#N

InChI

InChI=1S/C18H12F3N3O4/c1-28-16-6-5-14(24(26)27)9-15(16)23-17(25)12(10-22)7-11-3-2-4-13(8-11)18(19,20)21/h2-9H,1H3,(H,23,25)/b12-7+