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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1N=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H18N4O3/c1-2-3-10-21-16-7-5-4-6-15(16)20-18(21)19-12-13-11-14(22(24)25)8-9-17(13)23/h4-9,11-12,23H,2-3,10H2,1H3/p-1