2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: 2-cyano-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: 2-cyano-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: 2-cyano-N-[2-morpholino-5-(trifluoromethyl)phenyl]-3-(4-nitrophenyl)acrylamide Formula: C21H17F3N4O4 MolecularWeight: 446.37929

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H17F3N4O4/c22-21(23,24)16-3-6-19(27-7-9-32-10-8-27)18(12-16)26-20(29)15(13-25)11-14-1-4-17(5-2-14)28(30)31/h1-6,11-12H,7-10H2,(H,26,29)