3-nitro-4-(1-pyridin-3-ylethylamino)benzoic acid

Systemtic Name: 3-nitro-4-(1-pyridin-3-ylethylamino)benzoic acid Openeye Name: 3-nitro-4-[1-(3-pyridyl)ethylamino]benzoic acid CAS Name: 3-nitro-4-[1-(3-pyridinyl)ethylamino]benzoic acid IUPAC Name: 3-nitro-4-(1-pyridin-3-ylethylamino)benzoic acid Traditional Name: 3-nitro-4-[1-(3-pyridyl)ethylamino]benzoic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CN=CC=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4/c1-9(11-3-2-6-15-8-11)16-12-5-4-10(14(18)19)7-13(12)17(20)21/h2-9,16H,1H3,(H,18,19)