5-(1,3-dioxepan-2-yl)pyridine-2,3-dicarboxylic acid

Systemtic Name: 5-(1,3-dioxepan-2-yl)pyridine-2,3-dicarboxylic acid Openeye Name: 5-(1,3-dioxepan-2-yl)pyridine-2,3-dicarboxylic acid CAS Name: 5-(1,3-dioxepan-2-yl)pyridine-2,3-dicarboxylic acid IUPAC Name: 5-(1,3-dioxepan-2-yl)pyridine-2,3-dicarboxylic acid Traditional Name: 5-(1,3-dioxepan-2-yl)quinolinic acid Formula: C12H13NO6 MolecularWeight: 267.23472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(OC1)C2=CN=C(C(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(OC1)C2=CN=C(C(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO6/c14-10(15)8-5-7(6-13-9(8)11(16)17)12-18-3-1-2-4-19-12/h5-6,12H,1-4H2,(H,14,15)(H,16,17)