N-(4-morpholin-4-ylphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-(4-morpholinophenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[4-(4-morpholinyl)phenyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: (4-morpholinophenyl)-(2-nitro-4-triflyl-phenyl)amine Formula: C17H16F3N3O5S MolecularWeight: 431.38625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O5S/c18-17(19,20)29(26,27)14-5-6-15(16(11-14)23(24)25)21-12-1-3-13(4-2-12)22-7-9-28-10-8-22/h1-6,11,21H,7-10H2