2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-[(1-tert-butyl-5-benzimidazolyl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]-4-nitro-phenolate Formula: C18H17N4O3- MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=NC2=C1C=CC(=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)(C)N1C=NC2=C1C=CC(=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H18N4O3/c1-18(2,3)21-11-20-15-9-13(4-6-16(15)21)19-10-12-8-14(22(24)25)5-7-17(12)23/h4-11,23H,1-3H3/p-1