4-[(2-chloranylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-chloranylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[(2-chloroacetyl)amino]methyl]benzoic acid CAS Name: 4-[[(2-chloro-1-oxoethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[(2-chloroacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[(2-chloroacetyl)amino]methyl]benzoic acid Formula: C10H10ClNO3 MolecularWeight: 227.6443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCl)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCl)C(=O)O

InChI

InChI=1S/C10H10ClNO3/c11-5-9(13)12-6-7-1-3-8(4-2-7)10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)