5-[(6-nitropyridin-3-yl)amino]benzene-1,3-dicarboxylate

Systemtic Name: 5-[(6-nitropyridin-3-yl)amino]benzene-1,3-dicarboxylate Openeye Name: 5-[(6-nitro-3-pyridyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[(6-nitro-3-pyridinyl)amino]benzene-1,3-dicarboxylate IUPAC Name: 5-[(6-nitropyridin-3-yl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(6-nitro-3-pyridyl)amino]isophthalate Formula: C13H7N3O6-2 MolecularWeight: 301.21118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1NC2=CC(=CC(=C2)C(=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O6/c17-12(18)7-3-8(13(19)20)5-10(4-7)15-9-1-2-11(14-6-9)16(21)22/h1-6,15H,(H,17,18)(H,19,20)/p-2