dimethyl 2-chloranyl-2-[(2-chloranyl-5-nitro-phenyl)methyl]propanedioate

Systemtic Name: dimethyl 2-chloranyl-2-[(2-chloranyl-5-nitro-phenyl)methyl]propanedioate Openeye Name: dimethyl 2-chloro-2-[(2-chloro-5-nitro-phenyl)methyl]propanedioate CAS Name: 2-chloro-2-[(2-chloro-5-nitrophenyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-chloro-2-[(2-chloro-5-nitrophenyl)methyl]propanedioate Traditional Name: 2-chloro-2-(2-chloro-5-nitro-benzyl)malonic acid dimethyl ester Formula: C12H11Cl2NO6 MolecularWeight: 336.12484

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)(C(=O)OC)Cl

Isomeric SMILES

COC(=O)C(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)(C(=O)OC)Cl

InChI

InChI=1S/C12H11Cl2NO6/c1-20-10(16)12(14,11(17)21-2)6-7-5-8(15(18)19)3-4-9(7)13/h3-5H,6H2,1-2H3