N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-morpholino-3-nitro-benzamide Formula: C20H19F3N4O5 MolecularWeight: 452.38387

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H19F3N4O5/c1-12(28)24-14-3-4-16(15(11-14)20(21,22)23)25-19(29)13-2-5-17(18(10-13)27(30)31)26-6-8-32-9-7-26/h2-5,10-11H,6-9H2,1H3,(H,24,28)(H,25,29)