2-[[(2S)-2-(dimethylazaniumyl)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2S)-2-(dimethylazaniumyl)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2S)-2-(dimethylammonio)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-2-(dimethylammonio)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-2-(dimethylazaniumyl)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2S)-2-(dimethylammonio)-2-(3-fluorophenyl)ethyl]iminomethyl]-4-nitro-phenolate Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC(=CC=C2)F

Isomeric SMILES

C[NH+](C)[C@H](CN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC(=CC=C2)F

InChI

InChI=1S/C17H18FN3O3/c1-20(2)16(12-4-3-5-14(18)8-12)11-19-10-13-9-15(21(23)24)6-7-17(13)22/h3-10,16,22H,11H2,1-2H3/t16-/m1/s1