(2,6-dimethylphenyl) [3-nitro-4-(phenylcarbonyl)phenyl] hydrogen phosphate

Systemtic Name: (2,6-dimethylphenyl) [3-nitro-4-(phenylcarbonyl)phenyl] hydrogen phosphate Openeye Name: (4-benzoyl-3-nitro-phenyl) (2,6-dimethylphenyl) hydrogen phosphate CAS Name: (4-benzoyl-3-nitrophenyl) (2,6-dimethylphenyl) hydrogen phosphate IUPAC Name: (4-benzoyl-3-nitrophenyl) (2,6-dimethylphenyl) hydrogen phosphate Traditional Name: (4-benzoyl-3-nitro-phenyl) (2,6-dimethylphenyl) hydrogen phosphate Formula: C21H18NO7P MolecularWeight: 427.343881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OP(=O)(O)OC2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OP(=O)(O)OC2=CC(=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18NO7P/c1-14-7-6-8-15(2)21(14)29-30(26,27)28-17-11-12-18(19(13-17)22(24)25)20(23)16-9-4-3-5-10-16/h3-13H,1-2H3,(H,26,27)