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

Systemtic Name: dimethyl 2-[(2-chloranyl-5-nitro-phenyl)methyl]propanedioate Openeye Name: dimethyl 2-[(2-chloro-5-nitro-phenyl)methyl]propanedioate CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-chloro-5-nitrophenyl)methyl]propanedioate Traditional Name: 2-(2-chloro-5-nitro-benzyl)malonic acid dimethyl ester Formula: C12H12ClNO6 MolecularWeight: 301.67978

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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

Isomeric SMILES

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

InChI

InChI=1S/C12H12ClNO6/c1-19-11(15)9(12(16)20-2)6-7-5-8(14(17)18)3-4-10(7)13/h3-5,9H,6H2,1-2H3