2-[4-(dioxidanylmethyl)pyridin-2-yl]pyridine-4-carboxylic acid

Systemtic Name: 2-[4-(dioxidanylmethyl)pyridin-2-yl]pyridine-4-carboxylic acid Openeye Name: 2-[4-(hydroperoxymethyl)-2-pyridyl]pyridine-4-carboxylic acid CAS Name: 2-[4-(hydroperoxymethyl)-2-pyridinyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[4-(hydroperoxymethyl)pyridin-2-yl]pyridine-4-carboxylic acid Traditional Name: 2-[4-(hydroperoxymethyl)-2-pyridyl]isonicotinic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1COO)C2=NC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CN=C(C=C1COO)C2=NC=CC(=C2)C(=O)O

InChI

InChI=1S/C12H10N2O4/c15-12(16)9-2-4-14-11(6-9)10-5-8(7-18-17)1-3-13-10/h1-6,17H,7H2,(H,15,16)