2-[[2-(hydroxymethyl)-1-methyl-benzimidazol-5-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-(hydroxymethyl)-1-methyl-benzimidazol-5-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[2-(hydroxymethyl)-1-methyl-benzimidazol-5-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[2-(hydroxymethyl)-1-methyl-5-benzimidazolyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[(1-methyl-2-methylol-benzimidazol-5-yl)iminomethyl]-4-nitro-phenolate Formula: C16H13N4O4- MolecularWeight: 325.29882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])N=C1CO

Isomeric SMILES

CN1C2=C(C=C(C=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])N=C1CO

InChI

InChI=1S/C16H14N4O4/c1-19-14-4-2-11(7-13(14)18-16(19)9-21)17-8-10-6-12(20(23)24)3-5-15(10)22/h2-8,21-22H,9H2,1H3/p-1