(3S,4S)-1-oxidanylidene-3-pyridin-4-yl-3,4-dihydroisochromene-4-carboxylic acid

Systemtic Name: (3S,4S)-1-oxidanylidene-3-pyridin-4-yl-3,4-dihydroisochromene-4-carboxylic acid Openeye Name: (3S,4S)-1-oxo-3-(4-pyridyl)isochromane-4-carboxylic acid CAS Name: (3S,4S)-1-oxo-3-pyridin-4-yl-3,4-dihydro-1H-2-benzopyran-4-carboxylic acid IUPAC Name: (3S,4S)-1-oxo-3-pyridin-4-yl-3,4-dihydroisochromene-4-carboxylic acid Traditional Name: (3S,4S)-1-keto-3-(4-pyridyl)isochroman-4-carboxylic acid Formula: C15H11NO4 MolecularWeight: 269.25214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(OC2=O)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@H](OC2=O)C3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C15H11NO4/c17-14(18)12-10-3-1-2-4-11(10)15(19)20-13(12)9-5-7-16-8-6-9/h1-8,12-13H,(H,17,18)/t12-,13+/m0/s1