N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[4-(difluoromethylthio)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C17H16F2N2O5S MolecularWeight: 398.381146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SC(F)F)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)SC(F)F)OC

InChI

InChI=1S/C17H16F2N2O5S/c1-3-26-15-9-13(21(23)24)12(8-14(15)25-2)16(22)20-10-4-6-11(7-5-10)27-17(18)19/h4-9,17H,3H2,1-2H3,(H,20,22)