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

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C18H15BrF3N3O4 MolecularWeight: 474.22861

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C18H15BrF3N3O4/c19-15-3-1-11(9-14(15)18(20,21)22)23-17(26)13-10-12(25(27)28)2-4-16(13)24-5-7-29-8-6-24/h1-4,9-10H,5-8H2,(H,23,26)