3-nitro-4-(pyridin-3-ylmethylamino)benzoic acid

Systemtic Name: 3-nitro-4-(pyridin-3-ylmethylamino)benzoic acid Openeye Name: 3-nitro-4-(3-pyridylmethylamino)benzoic acid CAS Name: 3-nitro-4-(3-pyridinylmethylamino)benzoic acid IUPAC Name: 3-nitro-4-(pyridin-3-ylmethylamino)benzoic acid Traditional Name: 3-nitro-4-(3-pyridylmethylamino)benzoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4/c17-13(18)10-3-4-11(12(6-10)16(19)20)15-8-9-2-1-5-14-7-9/h1-7,15H,8H2,(H,17,18)