3-[2-(4-nitro-1H-benzimidazol-2-yl)phenoxy]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-(4-nitro-1H-benzimidazol-2-yl)phenoxy]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[2-(4-nitro-1H-benzimidazol-2-yl)phenoxy]propyl]phosphonic acid CAS Name: 3-[2-(4-nitro-1H-benzimidazol-2-yl)phenoxy]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-(4-nitro-1H-benzimidazol-2-yl)phenoxy]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[2-(4-nitro-1H-benzimidazol-2-yl)phenoxy]propyl]phosphonic acid Formula: C18H20N3O6P MolecularWeight: 405.341661

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(OC1=CC=CC=C1C2=NC3=C(N2)C=CC=C3[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(CC)(OC1=CC=CC=C1C2=NC3=C(N2)C=CC=C3[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C18H20N3O6P/c1-3-18(4-2,28(24,25)26)27-15-11-6-5-8-12(15)17-19-13-9-7-10-14(21(22)23)16(13)20-17/h5-11H,3-4H2,1-2H3,(H,19,20)(H2,24,25,26)