4-(2-carboxy-3-oxidanylidene-butyl)pyridine-2,6-dicarboxylic acid

Systemtic Name: 4-(2-carboxy-3-oxidanylidene-butyl)pyridine-2,6-dicarboxylic acid Openeye Name: 4-(2-carboxy-3-oxo-butyl)pyridine-2,6-dicarboxylic acid CAS Name: 4-(2-carboxy-3-oxobutyl)pyridine-2,6-dicarboxylic acid IUPAC Name: 4-(2-carboxy-3-oxobutyl)pyridine-2,6-dicarboxylic acid Traditional Name: 4-(2-carboxy-3-keto-butyl)dipicolinic acid Formula: C12H11NO7 MolecularWeight: 281.21824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC(=NC(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C(CC1=CC(=NC(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO7/c1-5(14)7(10(15)16)2-6-3-8(11(17)18)13-9(4-6)12(19)20/h3-4,7H,2H2,1H3,(H,15,16)(H,17,18)(H,19,20)