2-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 2-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[(1,2-dimethyl-5-benzimidazolyl)iminomethyl]-6-nitrophenolate IUPAC Name: 2-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]-6-nitrophenolate Traditional Name: 2-[(1,2-dimethylbenzimidazol-5-yl)iminomethyl]-6-nitro-phenolate Formula: C16H13N4O3- MolecularWeight: 309.29942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C)C=CC(=C2)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=NC2=C(N1C)C=CC(=C2)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14N4O3/c1-10-18-13-8-12(6-7-14(13)19(10)2)17-9-11-4-3-5-15(16(11)21)20(22)23/h3-9,21H,1-2H3/p-1