3,5-dinitro-4-(4-phenylmethoxyphenyl)benzoate

Systemtic Name: 3,5-dinitro-4-(4-phenylmethoxyphenyl)benzoate Openeye Name: 4-(4-benzyloxyphenyl)-3,5-dinitro-benzoate CAS Name: 3,5-dinitro-4-(4-phenylmethoxyphenyl)benzoate IUPAC Name: 3,5-dinitro-4-(4-phenylmethoxyphenyl)benzoate Traditional Name: 4-(4-benzoxyphenyl)-3,5-dinitro-benzoate Formula: C20H13N2O7- MolecularWeight: 393.32642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(C=C(C=C3[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O7/c23-20(24)15-10-17(21(25)26)19(18(11-15)22(27)28)14-6-8-16(9-7-14)29-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,23,24)/p-1