1-[3-azanyl-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1-benzothiophen-2-yl]propan-1-one

Systemtic Name: 1-[3-azanyl-6-nitro-4-[2,2,2-tris(fluoranyl)ethoxy]-1-benzothiophen-2-yl]propan-1-one Openeye Name: 1-[3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)benzothiophen-2-yl]propan-1-one CAS Name: 1-[3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophen-2-yl]-1-propanone IUPAC Name: 1-[3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)-1-benzothiophen-2-yl]propan-1-one Traditional Name: 1-[3-amino-6-nitro-4-(2,2,2-trifluoroethoxy)benzothiophen-2-yl]propan-1-one Formula: C13H11F3N2O4S MolecularWeight: 348.29765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11F3N2O4S/c1-2-7(19)12-11(17)10-8(22-5-13(14,15)16)3-6(18(20)21)4-9(10)23-12/h3-4H,2,5,17H2,1H3