2-bromanyl-6-[(1-hexylbenzimidazol-2-yl)iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-bromanyl-6-[(1-hexylbenzimidazol-2-yl)iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[(1-hexylbenzimidazol-2-yl)iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[(1-hexyl-2-benzimidazolyl)iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[(1-hexylbenzimidazol-2-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[(1-hexylbenzimidazol-2-yl)iminomethyl]-4-nitro-phenolate Formula: C20H20BrN4O3- MolecularWeight: 444.3018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O3/c1-2-3-4-7-10-24-18-9-6-5-8-17(18)23-20(24)22-13-14-11-15(25(27)28)12-16(21)19(14)26/h5-6,8-9,11-13,26H,2-4,7,10H2,1H3/p-1