2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: 2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethylsulfonyl)aniline Openeye Name: 2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethylsulfonyl)aniline CAS Name: 2-nitro-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]-4-(trifluoromethylsulfonyl)aniline IUPAC Name: 2-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(trifluoromethylsulfonyl)aniline Traditional Name: (2-nitro-4-triflyl-phenyl)-[2-(pyrazol-1-ylmethyl)benzyl]amine Formula: C18H15F3N4O4S MolecularWeight: 440.39631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])CN3C=CC=N3

InChI

InChI=1S/C18H15F3N4O4S/c19-18(20,21)30(28,29)15-6-7-16(17(10-15)25(26)27)22-11-13-4-1-2-5-14(13)12-24-9-3-8-23-24/h1-10,22H,11-12H2