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

Systemtic Name: dimethyl 2-[(5-azanyl-2-chloranyl-phenyl)methyl]-2-chloranyl-propanedioate Openeye Name: dimethyl 2-[(5-amino-2-chloro-phenyl)methyl]-2-chloro-propanedioate CAS Name: 2-[(5-amino-2-chlorophenyl)methyl]-2-chloropropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(5-amino-2-chlorophenyl)methyl]-2-chloropropanedioate Traditional Name: 2-(5-amino-2-chloro-benzyl)-2-chloro-malonic acid dimethyl ester Formula: C12H13Cl2NO4 MolecularWeight: 306.14192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(C=CC(=C1)N)Cl)(C(=O)OC)Cl

Isomeric SMILES

COC(=O)C(CC1=C(C=CC(=C1)N)Cl)(C(=O)OC)Cl

InChI

InChI=1S/C12H13Cl2NO4/c1-18-10(16)12(14,11(17)19-2)6-7-5-8(15)3-4-9(7)13/h3-5H,6,15H2,1-2H3