3,5-dinitro-4-(4-phenylmethoxyphenyl)benzoic acid

Systemtic Name: 3,5-dinitro-4-(4-phenylmethoxyphenyl)benzoic acid Openeye Name: 4-(4-benzyloxyphenyl)-3,5-dinitro-benzoic acid CAS Name: 3,5-dinitro-4-(4-phenylmethoxyphenyl)benzoic acid IUPAC Name: 3,5-dinitro-4-(4-phenylmethoxyphenyl)benzoic acid Traditional Name: 4-(4-benzoxyphenyl)-3,5-dinitro-benzoic acid 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)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)