2-[(2-chloranylethanoylamino)methyl]-3,4,5-trimethoxy-benzoic acid

Systemtic Name: 2-[(2-chloranylethanoylamino)methyl]-3,4,5-trimethoxy-benzoic acid Openeye Name: 2-[[(2-chloroacetyl)amino]methyl]-3,4,5-trimethoxy-benzoic acid CAS Name: 2-[[(2-chloro-1-oxoethyl)amino]methyl]-3,4,5-trimethoxybenzoic acid IUPAC Name: 2-[[(2-chloroacetyl)amino]methyl]-3,4,5-trimethoxybenzoic acid Traditional Name: 2-[[(2-chloroacetyl)amino]methyl]-3,4,5-trimethoxy-benzoic acid Formula: C13H16ClNO6 MolecularWeight: 317.72224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)O)CNC(=O)CCl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)O)CNC(=O)CCl)OC)OC

InChI

InChI=1S/C13H16ClNO6/c1-19-9-4-7(13(17)18)8(6-15-10(16)5-14)11(20-2)12(9)21-3/h4H,5-6H2,1-3H3,(H,15,16)(H,17,18)