5,5-dimethyl-2-oxidanylidene-4-[(E)-2-pyridin-3-ylethenyl]furan-3-carboxylic acid

Systemtic Name: 5,5-dimethyl-2-oxidanylidene-4-[(E)-2-pyridin-3-ylethenyl]furan-3-carboxylic acid Openeye Name: 5,5-dimethyl-2-oxo-4-[(E)-2-(3-pyridyl)vinyl]furan-3-carboxylic acid CAS Name: 5,5-dimethyl-2-oxo-4-[(E)-2-(3-pyridinyl)ethenyl]-3-furancarboxylic acid IUPAC Name: 5,5-dimethyl-2-oxo-4-[(E)-2-pyridin-3-ylethenyl]furan-3-carboxylic acid Traditional Name: 2-keto-5,5-dimethyl-4-[(E)-2-(3-pyridyl)vinyl]-3-furoic acid Formula: C14H13NO4 MolecularWeight: 259.25732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(=O)O1)C(=O)O)C=CC2=CN=CC=C2)C

Isomeric SMILES

CC1(C(=C(C(=O)O1)C(=O)O)/C=C/C2=CN=CC=C2)C

InChI

InChI=1S/C14H13NO4/c1-14(2)10(11(12(16)17)13(18)19-14)6-5-9-4-3-7-15-8-9/h3-8H,1-2H3,(H,16,17)/b6-5+