(2-dibutylphosphorylphenyl) 3-nitrobenzoate

Systemtic Name: (2-dibutylphosphorylphenyl) 3-nitrobenzoate Openeye Name: (2-dibutylphosphorylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-dibutylphosphorylphenyl) ester IUPAC Name: (2-dibutylphosphorylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-dibutylphosphorylphenyl) ester Formula: C21H26NO5P MolecularWeight: 403.408601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCP(=O)(CCCC)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCP(=O)(CCCC)C1=CC=CC=C1OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26NO5P/c1-3-5-14-28(26,15-6-4-2)20-13-8-7-12-19(20)27-21(23)17-10-9-11-18(16-17)22(24)25/h7-13,16H,3-6,14-15H2,1-2H3