N-[(2-methoxypyridin-4-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-[(2-methoxypyridin-4-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-[(2-methoxy-4-pyridyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-[(2-methoxy-4-pyridinyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-[(2-methoxypyridin-4-yl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: (2-methoxy-4-pyridyl)methyl-(2-nitro-4-triflyl-phenyl)amine Formula: C14H12F3N3O5S MolecularWeight: 391.32239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=CC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=NC=CC(=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H12F3N3O5S/c1-25-13-6-9(4-5-18-13)8-19-11-3-2-10(7-12(11)20(21)22)26(23,24)14(15,16)17/h2-7,19H,8H2,1H3