4-(dimethylamino)-3-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Traditional Name: 4-(dimethylamino)-3-nitro-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]benzamide Formula: C19H16F3N3O3 MolecularWeight: 391.34385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16F3N3O3/c1-24(2)16-9-8-14(12-17(16)25(27)28)18(26)23-10-4-6-13-5-3-7-15(11-13)19(20,21)22/h3,5,7-9,11-12H,10H2,1-2H3,(H,23,26)