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

Systemtic Name: 4-chloranyl-2-[[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2S)-2-(diethylammonio)-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2S)-2-(diethylammonio)-2-phenylethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2S)-2-(diethylazaniumyl)-2-phenylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2S)-2-(diethylammonio)-2-phenyl-ethyl]iminomethyl]-6-nitro-phenolate Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O3/c1-3-22(4-2)18(14-8-6-5-7-9-14)13-21-12-15-10-16(20)11-17(19(15)24)23(25)26/h5-12,18,24H,3-4,13H2,1-2H3/t18-/m1/s1