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

Systemtic Name: 2-[[(2S)-2-(2-chlorophenyl)-2-(dimethylazaniumyl)ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2S)-2-(2-chlorophenyl)-2-(dimethylammonio)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-2-(2-chlorophenyl)-2-(dimethylammonio)ethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-2-(2-chlorophenyl)-2-(dimethylazaniumyl)ethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2S)-2-(2-chlorophenyl)-2-(dimethylammonio)ethyl]iminomethyl]-4-nitro-phenolate Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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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=C2Cl

Isomeric SMILES

C[NH+](C)[C@H](CN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC=CC=C2Cl

InChI

InChI=1S/C17H18ClN3O3/c1-20(2)16(14-5-3-4-6-15(14)18)11-19-10-12-9-13(21(23)24)7-8-17(12)22/h3-10,16,22H,11H2,1-2H3/t16-/m1/s1