2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-oxidanylidene-isoquinoline-4-carbonitrile

Systemtic Name: 2-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1-oxidanylidene-isoquinoline-4-carbonitrile Openeye Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-oxo-isoquinoline-4-carbonitrile CAS Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-1-oxo-4-isoquinolinecarbonitrile IUPAC Name: 2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-oxoisoquinoline-4-carbonitrile Traditional Name: 2-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-1-keto-isoquinoline-4-carbonitrile Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=C(C3=CC=CC=C3C2=O)C#N)CO)O

Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=C(C3=CC=CC=C3C2=O)C#N)CO)O

InChI

InChI=1S/C15H14N2O4/c16-6-9-7-17(14-5-12(19)13(8-18)21-14)15(20)11-4-2-1-3-10(9)11/h1-4,7,12-14,18-19H,5,8H2/t12-,13+,14+/m0/s1