(3S,4S)-1-oxidanylidene-3-pyridin-2-yl-3,4-dihydroisochromene-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C(OC2=O)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H]([C@H](OC2=O)C3=CC=CC=N3)C(=O)O

InChI

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