2-[[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2S)-2-(diethylammonio)-2-phenyl-ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-2-(diethylammonio)-2-phenylethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-2-(diethylazaniumyl)-2-phenylethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2S)-2-(diethylammonio)-2-phenyl-ethyl]iminomethyl]-4-nitro-phenolate Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3/c1-3-21(4-2)18(15-8-6-5-7-9-15)14-20-13-16-12-17(22(24)25)10-11-19(16)23/h5-13,18,23H,3-4,14H2,1-2H3/t18-/m1/s1