3-nitro-5-(pyridin-2-ylmethylcarbamoyl)benzoic acid

Systemtic Name: 3-nitro-5-(pyridin-2-ylmethylcarbamoyl)benzoic acid Openeye Name: 3-nitro-5-(2-pyridylmethylcarbamoyl)benzoic acid CAS Name: 3-nitro-5-[oxo-(2-pyridinylmethylamino)methyl]benzoic acid IUPAC Name: 3-nitro-5-(pyridin-2-ylmethylcarbamoyl)benzoic acid Traditional Name: 3-nitro-5-(2-pyridylmethylcarbamoyl)benzoic acid Formula: C14H11N3O5 MolecularWeight: 301.25424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N3O5/c18-13(16-8-11-3-1-2-4-15-11)9-5-10(14(19)20)7-12(6-9)17(21)22/h1-7H,8H2,(H,16,18)(H,19,20)