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

Systemtic Name: 2-[[(2S)-2-(dimethylazaniumyl)-2-(2-methoxyphenyl)ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2S)-2-(dimethylammonio)-2-(2-methoxyphenyl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-2-(dimethylammonio)-2-(2-methoxyphenyl)ethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-2-(dimethylazaniumyl)-2-(2-methoxyphenyl)ethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2S)-2-(dimethylammonio)-2-(2-methoxyphenyl)ethyl]iminomethyl]-4-nitro-phenolate Formula: C18H21N3O4 MolecularWeight: 343.37704

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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=C2OC

Isomeric SMILES

C[NH+](C)[C@H](CN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC=CC=C2OC

InChI

InChI=1S/C18H21N3O4/c1-20(2)16(15-6-4-5-7-18(15)25-3)12-19-11-13-10-14(21(23)24)8-9-17(13)22/h4-11,16,22H,12H2,1-3H3/t16-/m1/s1