N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-N-cyclopropyl-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl]-N-cyclopropyl-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-cyclopropyl-N-[4-(difluoromethoxy)-3-methoxy-benzyl]-4-(methylthio)-3-nitro-benzamide Formula: C20H20F2N2O5S MolecularWeight: 438.445006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C20H20F2N2O5S/c1-28-17-9-12(3-7-16(17)29-20(21)22)11-23(14-5-6-14)19(25)13-4-8-18(30-2)15(10-13)24(26)27/h3-4,7-10,14,20H,5-6,11H2,1-2H3