N-ethyl-N-[(3-fluorophenyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-nitro-4-(trifluoromethylsulfonyl)aniline Traditional Name: ethyl-(3-fluorobenzyl)-(2-nitro-4-triflyl-phenyl)amine Formula: C16H14F4N2O4S MolecularWeight: 406.351973

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H14F4N2O4S/c1-2-21(10-11-4-3-5-12(17)8-11)14-7-6-13(9-15(14)22(23)24)27(25,26)16(18,19)20/h3-9H,2,10H2,1H3