2-[(1-butylbenzimidazol-2-yl)iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[(1-butylbenzimidazol-2-yl)iminomethyl]-6-nitro-phenolate Openeye Name: 2-[(1-butylbenzimidazol-2-yl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[(1-butyl-2-benzimidazolyl)iminomethyl]-6-nitrophenolate IUPAC Name: 2-[(1-butylbenzimidazol-2-yl)iminomethyl]-6-nitrophenolate Traditional Name: 2-[(1-butylbenzimidazol-2-yl)iminomethyl]-6-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/c1-2-3-11-21-15-9-5-4-8-14(15)20-18(21)19-12-13-7-6-10-16(17(13)23)22(24)25/h4-10,12,23H,2-3,11H2,1H3/p-1