2-[[4-(6-azanyl-1H-benzimidazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[[4-(6-azanyl-1H-benzimidazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[4-(6-amino-1H-benzimidazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[4-(6-amino-1H-benzimidazol-2-yl)phenyl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[4-(6-amino-1H-benzimidazol-2-yl)phenyl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[4-(6-amino-1H-benzimidazol-2-yl)phenyl]iminomethyl]-4,6-dinitro-phenolate Formula: C20H13N6O5- MolecularWeight: 417.35442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N6O5/c21-13-3-6-16-17(8-13)24-20(23-16)11-1-4-14(5-2-11)22-10-12-7-15(25(28)29)9-18(19(12)27)26(30)31/h1-10,27H,21H2,(H,23,24)/p-1