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

Systemtic Name: 3-azanyl-4-(pyridin-3-ylmethylamino)benzoate Openeye Name: 3-amino-4-(3-pyridylmethylamino)benzoate CAS Name: 3-amino-4-(3-pyridinylmethylamino)benzoate IUPAC Name: 3-amino-4-(pyridin-3-ylmethylamino)benzoate Traditional Name: 3-amino-4-(3-pyridylmethylamino)benzoate Formula: C13H12N3O2- MolecularWeight: 242.25328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)C(=O)[O-])N

Isomeric SMILES

C1=CC(=CN=C1)CNC2=C(C=C(C=C2)C(=O)[O-])N

InChI

InChI=1S/C13H13N3O2/c14-11-6-10(13(17)18)3-4-12(11)16-8-9-2-1-5-15-7-9/h1-7,16H,8,14H2,(H,17,18)/p-1