methyl 3-azanyl-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)benzothiophene-2-carboxylate CAS Name: 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)benzothiophene-2-carboxylic acid methyl ester Formula: C12H9F3N2O5S MolecularWeight: 350.27047

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])OCC(F)(F)F)N

Isomeric SMILES

COC(=O)C1=C(C2=C(C=C(C=C2S1)[N+](=O)[O-])OCC(F)(F)F)N

InChI

InChI=1S/C12H9F3N2O5S/c1-21-11(18)10-9(16)8-6(22-4-12(13,14)15)2-5(17(19)20)3-7(8)23-10/h2-3H,4,16H2,1H3