2-chloranyl-4-(pyridin-3-ylmethylamino)benzoic acid

Systemtic Name: 2-chloranyl-4-(pyridin-3-ylmethylamino)benzoic acid Openeye Name: 2-chloro-4-(3-pyridylmethylamino)benzoic acid CAS Name: 2-chloro-4-(3-pyridinylmethylamino)benzoic acid IUPAC Name: 2-chloro-4-(pyridin-3-ylmethylamino)benzoic acid Traditional Name: 2-chloro-4-(3-pyridylmethylamino)benzoic acid Formula: C13H11ClN2O2 MolecularWeight: 262.69164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=CC(=C(C=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC2=CC(=C(C=C2)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O2/c14-12-6-10(3-4-11(12)13(17)18)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2,(H,17,18)