methyl 2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate

Systemtic Name: methyl 2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate Openeye Name: methyl 2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate CAS Name: 2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propanoate Traditional Name: 2-nitro-3-[2-(trifluoromethyl)-1H-indol-3-yl]propionic acid methyl ester Formula: C13H11F3N2O4 MolecularWeight: 316.23265

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(NC2=CC=CC=C21)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=C(NC2=CC=CC=C21)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H11F3N2O4/c1-22-12(19)10(18(20)21)6-8-7-4-2-3-5-9(7)17-11(8)13(14,15)16/h2-5,10,17H,6H2,1H3