5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxylic acid Openeye Name: 1-benzyl-5-chloro-6-oxo-pyridine-3-carboxylic acid CAS Name: 5-chloro-6-oxo-1-(phenylmethyl)-3-pyridinecarboxylic acid IUPAC Name: 1-benzyl-5-chloro-6-oxopyridine-3-carboxylic acid Traditional Name: 1-benzyl-5-chloro-6-keto-nicotinic acid Formula: C13H10ClNO3 MolecularWeight: 263.6764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=C(C2=O)Cl)C(=O)O

InChI

InChI=1S/C13H10ClNO3/c14-11-6-10(13(17)18)8-15(12(11)16)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,17,18)