(3,5-dinitro-4-oxidanyl-phenyl) benzoate

Systemtic Name: (3,5-dinitro-4-oxidanyl-phenyl) benzoate Openeye Name: (4-hydroxy-3,5-dinitro-phenyl) benzoate CAS Name: benzoic acid (4-hydroxy-3,5-dinitrophenyl) ester IUPAC Name: (4-hydroxy-3,5-dinitrophenyl) benzoate Traditional Name: benzoic acid (4-hydroxy-3,5-dinitro-phenyl) ester Formula: C13H8N2O7 MolecularWeight: 304.21182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O7/c16-12-10(14(18)19)6-9(7-11(12)15(20)21)22-13(17)8-4-2-1-3-5-8/h1-7,16H