4-chloranyl-3-(pyridin-4-ylmethylamino)benzoate

Systemtic Name: 4-chloranyl-3-(pyridin-4-ylmethylamino)benzoate Openeye Name: 4-chloro-3-(4-pyridylmethylamino)benzoate CAS Name: 4-chloro-3-(pyridin-4-ylmethylamino)benzoate IUPAC Name: 4-chloro-3-(pyridin-4-ylmethylamino)benzoate Traditional Name: 4-chloro-3-(4-pyridylmethylamino)benzoate Formula: C13H10ClN2O2- MolecularWeight: 261.6837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])NCC2=CC=NC=C2)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])NCC2=CC=NC=C2)Cl

InChI

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