2-[(1-butylbenzimidazol-2-yl)iminomethyl]-4-methyl-6-nitro-phenolate

Systemtic Name: 2-[(1-butylbenzimidazol-2-yl)iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[(1-butylbenzimidazol-2-yl)iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[(1-butyl-2-benzimidazolyl)iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[(1-butylbenzimidazol-2-yl)iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[(1-butylbenzimidazol-2-yl)iminomethyl]-4-methyl-6-nitro-phenolate Formula: C19H19N4O3- MolecularWeight: 351.37916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3/c1-3-4-9-22-16-8-6-5-7-15(16)21-19(22)20-12-14-10-13(2)11-17(18(14)24)23(25)26/h5-8,10-12,24H,3-4,9H2,1-2H3/p-1