ethanedioic acid; methyl 2-[(3,4-dichlorophenyl)methylamino]ethanoate

Systemtic Name: ethanedioic acid; methyl 2-[(3,4-dichlorophenyl)methylamino]ethanoate Openeye Name: methyl 2-[(3,4-dichlorophenyl)methylamino]acetate; oxalic acid CAS Name: 2-[(3,4-dichlorophenyl)methylamino]acetic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[(3,4-dichlorophenyl)methylamino]acetate; oxalic acid Traditional Name: 2-[(3,4-dichlorobenzyl)amino]acetic acid methyl ester; oxalic acid Formula: C12H13Cl2NO6 MolecularWeight: 338.14072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNCC1=CC(=C(C=C1)Cl)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)CNCC1=CC(=C(C=C1)Cl)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H11Cl2NO2.C2H2O4/c1-15-10(14)6-13-5-7-2-3-8(11)9(12)4-7;3-1(4)2(5)6/h2-4,13H,5-6H2,1H3;(H,3,4)(H,5,6)