[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-methoxyphenyl]methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [4-(difluoromethoxy)-3-methoxy-benzyl] ester Formula: C18H13F2NO6S MolecularWeight: 409.360726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C18H13F2NO6S/c1-25-14-6-10(2-4-13(14)27-18(19)20)9-26-17(22)16-8-11-7-12(21(23)24)3-5-15(11)28-16/h2-8,18H,9H2,1H3