5-[(5-methyl-2-oxidanylidene-pyridin-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(5-methyl-2-oxidanylidene-pyridin-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 5-[(5-methyl-2-oxo-1-pyridyl)methyl]furan-2-carboxylic acid CAS Name: 5-[(5-methyl-2-oxo-1-pyridinyl)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(5-methyl-2-oxopyridin-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-keto-5-methyl-1-pyridyl)methyl]-2-furoic acid Formula: C12H11NO4 MolecularWeight: 233.22004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C=C1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC1=CN(C(=O)C=C1)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H11NO4/c1-8-2-5-11(14)13(6-8)7-9-3-4-10(17-9)12(15)16/h2-6H,7H2,1H3,(H,15,16)