4-chloranyl-2-[[(2S)-2-(dimethylazaniumyl)-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2S)-2-(dimethylazaniumyl)-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2S)-2-(dimethylammonio)-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2S)-2-(dimethylammonio)-2-phenylethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2S)-2-(dimethylazaniumyl)-2-phenylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2S)-2-(dimethylammonio)-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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