4-chloranyl-2-[[(2S)-2-(dimethylazaniumyl)-2-(3-methoxyphenyl)ethyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2S)-2-(dimethylazaniumyl)-2-(3-methoxyphenyl)ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2S)-2-(dimethylammonio)-2-(3-methoxyphenyl)ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2S)-2-(dimethylammonio)-2-(3-methoxyphenyl)ethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2S)-2-(dimethylazaniumyl)-2-(3-methoxyphenyl)ethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2S)-2-(dimethylammonio)-2-(3-methoxyphenyl)ethyl]iminomethyl]-6-nitro-phenolate Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O4/c1-21(2)17(12-5-4-6-15(8-12)26-3)11-20-10-13-7-14(19)9-16(18(13)23)22(24)25/h4-10,17,23H,11H2,1-3H3/t17-/m1/s1