(4-phenylmethoxyphenyl) 2-chloranyl-3,5-dinitro-benzoate

Systemtic Name: (4-phenylmethoxyphenyl) 2-chloranyl-3,5-dinitro-benzoate Openeye Name: (4-benzyloxyphenyl) 2-chloro-3,5-dinitro-benzoate CAS Name: 2-chloro-3,5-dinitrobenzoic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 2-chloro-3,5-dinitrobenzoate Traditional Name: 2-chloro-3,5-dinitro-benzoic acid (4-benzoxyphenyl) ester Formula: C20H13ClN2O7 MolecularWeight: 428.77942

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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(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H13ClN2O7/c21-19-17(10-14(22(25)26)11-18(19)23(27)28)20(24)30-16-8-6-15(7-9-16)29-12-13-4-2-1-3-5-13/h1-11H,12H2