N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: [4-(difluoromethoxy)-3-methoxy-benzyl]-(4-mesyl-2-nitro-phenyl)amine Formula: C16H16F2N2O6S MolecularWeight: 402.369846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16F2N2O6S/c1-25-15-7-10(3-6-14(15)26-16(17)18)9-19-12-5-4-11(27(2,23)24)8-13(12)20(21)22/h3-8,16,19H,9H2,1-2H3