2-(1-butylbenzimidazol-2-yl)-4-nitro-phenolate

Systemtic Name: 2-(1-butylbenzimidazol-2-yl)-4-nitro-phenolate Openeye Name: 2-(1-butylbenzimidazol-2-yl)-4-nitro-phenolate CAS Name: 2-(1-butyl-2-benzimidazolyl)-4-nitrophenolate IUPAC Name: 2-(1-butylbenzimidazol-2-yl)-4-nitrophenolate Traditional Name: 2-(1-butylbenzimidazol-2-yl)-4-nitro-phenolate Formula: C17H16N3O3- MolecularWeight: 310.32724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C1C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C1C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H17N3O3/c1-2-3-10-19-15-7-5-4-6-14(15)18-17(19)13-11-12(20(22)23)8-9-16(13)21/h4-9,11,21H,2-3,10H2,1H3/p-1