2-[[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[1-[2-(diethylammonio)ethyl]benzimidazol-2-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[1-[2-(diethylammonio)ethyl]-2-benzimidazolyl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[1-[2-(diethylazaniumyl)ethyl]benzimidazol-2-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[1-[2-(diethylammonio)ethyl]benzimidazol-2-yl]iminomethyl]-6-nitro-phenolate Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H23N5O3/c1-3-23(4-2)12-13-24-17-10-6-5-9-16(17)22-20(24)21-14-15-8-7-11-18(19(15)26)25(27)28/h5-11,14,26H,3-4,12-13H2,1-2H3