(4-phenylmethoxyphenyl) 3,5-dinitrobenzoate

Systemtic Name: (4-phenylmethoxyphenyl) 3,5-dinitrobenzoate Openeye Name: (4-benzyloxyphenyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-benzoxyphenyl) ester Formula: C20H14N2O7 MolecularWeight: 394.33436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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