N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-[(6-imidazol-1-yl-3-pyridyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[[6-(1-imidazolyl)-3-pyridinyl]methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-[(6-imidazol-1-ylpyridin-3-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: (6-imidazol-1-yl-3-pyridyl)methyl-(2-nitro-4-triflyl-phenyl)amine Formula: C16H12F3N5O4S MolecularWeight: 427.35779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC2=CN=C(C=C2)N3C=CN=C3

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])NCC2=CN=C(C=C2)N3C=CN=C3

InChI

InChI=1S/C16H12F3N5O4S/c17-16(18,19)29(27,28)12-2-3-13(14(7-12)24(25)26)21-8-11-1-4-15(22-9-11)23-6-5-20-10-23/h1-7,9-10,21H,8H2