5-morpholin-4-yl-2-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide

Systemtic Name: 5-morpholin-4-yl-2-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Openeye Name: 5-morpholino-2-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide CAS Name: 5-(4-morpholinyl)-2-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide IUPAC Name: 5-morpholin-4-yl-2-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Traditional Name: 5-morpholino-2-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Formula: C21H18F3N3O4 MolecularWeight: 433.38053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N3O4/c22-21(23,24)16-5-1-3-15(13-16)4-2-8-25-20(28)18-14-17(6-7-19(18)27(29)30)26-9-11-31-12-10-26/h1,3,5-7,13-14H,8-12H2,(H,25,28)