2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Formula: C20H11FN5O5- MolecularWeight: 420.330243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C20H12FN5O5/c21-13-3-1-11(2-4-13)20-23-16-6-5-14(8-17(16)24-20)22-10-12-7-15(25(28)29)9-18(19(12)27)26(30)31/h1-10,27H,(H,23,24)/p-1