diethyl 2-(5-chloranyl-2,4-dinitro-phenyl)carbonylpropanedioate

Systemtic Name: diethyl 2-(5-chloranyl-2,4-dinitro-phenyl)carbonylpropanedioate Openeye Name: diethyl 2-(5-chloro-2,4-dinitro-benzoyl)propanedioate CAS Name: 2-[(5-chloro-2,4-dinitrophenyl)-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(5-chloro-2,4-dinitrobenzoyl)propanedioate Traditional Name: 2-(5-chloro-2,4-dinitro-benzoyl)malonic acid diethyl ester Formula: C14H13ClN2O9 MolecularWeight: 388.71402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl)C(=O)OCC

InChI

InChI=1S/C14H13ClN2O9/c1-3-25-13(19)11(14(20)26-4-2)12(18)7-5-8(15)10(17(23)24)6-9(7)16(21)22/h5-6,11H,3-4H2,1-2H3