methyl 3,3,3-tris(fluoranyl)-2-(5-nitro-1H-indol-3-yl)-2-oxidanyl-propanoate

Systemtic Name: methyl 3,3,3-tris(fluoranyl)-2-(5-nitro-1H-indol-3-yl)-2-oxidanyl-propanoate Openeye Name: methyl 3,3,3-trifluoro-2-hydroxy-2-(5-nitro-1H-indol-3-yl)propanoate CAS Name: 3,3,3-trifluoro-2-hydroxy-2-(5-nitro-1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 3,3,3-trifluoro-2-hydroxy-2-(5-nitro-1H-indol-3-yl)propanoate Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-(5-nitro-1H-indol-3-yl)propionic acid methyl ester Formula: C12H9F3N2O5 MolecularWeight: 318.20547

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CNC2=C1C=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(C1=CNC2=C1C=C(C=C2)[N+](=O)[O-])(C(F)(F)F)O

InChI

InChI=1S/C12H9F3N2O5/c1-22-10(18)11(19,12(13,14)15)8-5-16-9-3-2-6(17(20)21)4-7(8)9/h2-5,16,19H,1H3