2-nitro-N-(2-quinolin-8-ylethyl)-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: 2-nitro-N-(2-quinolin-8-ylethyl)-4-(trifluoromethylsulfonyl)aniline Openeye Name: 2-nitro-N-[2-(8-quinolyl)ethyl]-4-(trifluoromethylsulfonyl)aniline CAS Name: 2-nitro-N-[2-(8-quinolinyl)ethyl]-4-(trifluoromethylsulfonyl)aniline IUPAC Name: 2-nitro-N-(2-quinolin-8-ylethyl)-4-(trifluoromethylsulfonyl)aniline Traditional Name: (2-nitro-4-triflyl-phenyl)-[2-(8-quinolyl)ethyl]amine Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CCNC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CCNC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C18H14F3N3O4S/c19-18(20,21)29(27,28)14-6-7-15(16(11-14)24(25)26)22-10-8-13-4-1-3-12-5-2-9-23-17(12)13/h1-7,9,11,22H,8,10H2