diethyl 2-(4-chloranyl-2-nitro-phenyl)propanedioate

Systemtic Name: diethyl 2-(4-chloranyl-2-nitro-phenyl)propanedioate Openeye Name: diethyl 2-(4-chloro-2-nitro-phenyl)propanedioate CAS Name: 2-(4-chloro-2-nitrophenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-chloro-2-nitrophenyl)propanedioate Traditional Name: 2-(4-chloro-2-nitro-phenyl)malonic acid diethyl ester Formula: C13H14ClNO6 MolecularWeight: 315.70636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO6/c1-3-20-12(16)11(13(17)21-4-2)9-6-5-8(14)7-10(9)15(18)19/h5-7,11H,3-4H2,1-2H3