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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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