N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-nitro-4-(trifluoromethyl)aniline Traditional Name: [(2S)-2-(5-methyl-2-furyl)-2-morpholino-ethyl]-[2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C18H20F3N3O4 MolecularWeight: 399.36431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C18H20F3N3O4/c1-12-2-5-17(28-12)16(23-6-8-27-9-7-23)11-22-14-4-3-13(18(19,20)21)10-15(14)24(25)26/h2-5,10,16,22H,6-9,11H2,1H3/t16-/m0/s1