N-[2-(2-chloranyl-6-fluoranyl-phenyl)-2-(dimethylamino)ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(2-chloranyl-6-fluoranyl-phenyl)-2-(dimethylamino)ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(2-chloro-6-fluoro-phenyl)-2-(dimethylamino)ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(2-chloro-6-fluoro-phenyl)-2-(dimethylamino)ethyl]-4-morpholino-3-nitro-benzamide Formula: C21H24ClFN4O4 MolecularWeight: 450.891063

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])C3=C(C=CC=C3Cl)F

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-])C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN4O4/c1-25(2)19(20-15(22)4-3-5-16(20)23)13-24-21(28)14-6-7-17(18(12-14)27(29)30)26-8-10-31-11-9-26/h3-7,12,19H,8-11,13H2,1-2H3,(H,24,28)