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

Systemtic Name: 2-[[(2S)-2-(dimethylazaniumyl)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2S)-2-(dimethylammonio)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-2-(dimethylammonio)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-2-(dimethylazaniumyl)-2-(3-methoxyphenyl)ethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2S)-2-(dimethylammonio)-2-(3-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=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4/c1-20(2)17(13-5-4-6-16(10-13)25-3)12-19-11-14-9-15(21(23)24)7-8-18(14)22/h4-11,17,22H,12H2,1-3H3/t17-/m1/s1