3,4-diethoxy-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]aniline

Systemtic Name: 3,4-diethoxy-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]aniline Openeye Name: 3,4-diethoxy-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]aniline CAS Name: 3,4-diethoxy-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]aniline IUPAC Name: 3,4-diethoxy-N-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]aniline Traditional Name: (3,4-diethoxyphenyl)-(2-nitro-4-triflyl-phenyl)amine Formula: C17H17F3N2O6S MolecularWeight: 434.38689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])OCC

InChI

InChI=1S/C17H17F3N2O6S/c1-3-27-15-8-5-11(9-16(15)28-4-2)21-13-7-6-12(10-14(13)22(23)24)29(25,26)17(18,19)20/h5-10,21H,3-4H2,1-2H3