[2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-(2,4-dinitrophenoxy)benzoate

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 4-(2,4-dinitrophenoxy)benzoate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 4-(2,4-dinitrophenoxy)benzoate CAS Name: 4-(2,4-dinitrophenoxy)benzoic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 4-(2,4-dinitrophenoxy)benzoate Traditional Name: 4-(2,4-dinitrophenoxy)benzoic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C21H13ClN2O8 MolecularWeight: 456.78952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN2O8/c22-15-5-1-13(2-6-15)19(25)12-31-21(26)14-3-8-17(9-4-14)32-20-10-7-16(23(27)28)11-18(20)24(29)30/h1-11H,12H2