ethyl 3,3,3-tris(fluoranyl)-2-[6-nitro-1-(phenylmethyl)indol-3-yl]-2-oxidanyl-propanoate

Systemtic Name: ethyl 3,3,3-tris(fluoranyl)-2-[6-nitro-1-(phenylmethyl)indol-3-yl]-2-oxidanyl-propanoate Openeye Name: ethyl 2-(1-benzyl-6-nitro-indol-3-yl)-3,3,3-trifluoro-2-hydroxy-propanoate CAS Name: 3,3,3-trifluoro-2-hydroxy-2-[6-nitro-1-(phenylmethyl)-3-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(1-benzyl-6-nitroindol-3-yl)-3,3,3-trifluoro-2-hydroxypropanoate Traditional Name: 2-(1-benzyl-6-nitro-indol-3-yl)-3,3,3-trifluoro-2-hydroxy-propionic acid ethyl ester Formula: C20H17F3N2O5 MolecularWeight: 422.35459

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CN(C2=C1C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)C(C1=CN(C2=C1C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3)(C(F)(F)F)O

InChI

InChI=1S/C20H17F3N2O5/c1-2-30-18(26)19(27,20(21,22)23)16-12-24(11-13-6-4-3-5-7-13)17-10-14(25(28)29)8-9-15(16)17/h3-10,12,27H,2,11H2,1H3