3-[4-oxidanyl-1-oxidanylidene-4-(2-oxidanylideneethyl)-3H-isoquinolin-2-yl]propanenitrile

Systemtic Name: 3-[4-oxidanyl-1-oxidanylidene-4-(2-oxidanylideneethyl)-3H-isoquinolin-2-yl]propanenitrile Openeye Name: 3-[4-hydroxy-1-oxo-4-(2-oxoethyl)-3H-isoquinolin-2-yl]propanenitrile CAS Name: 3-[4-hydroxy-1-oxo-4-(2-oxoethyl)-3H-isoquinolin-2-yl]propanenitrile IUPAC Name: 3-[4-hydroxy-1-oxo-4-(2-oxoethyl)-3H-isoquinolin-2-yl]propanenitrile Traditional Name: 3-[4-hydroxy-1-keto-4-(2-ketoethyl)-3H-isoquinolin-2-yl]propionitrile Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C(=O)N1CCC#N)(CC=O)O

Isomeric SMILES

C1C(C2=CC=CC=C2C(=O)N1CCC#N)(CC=O)O

InChI

InChI=1S/C14H14N2O3/c15-7-3-8-16-10-14(19,6-9-17)12-5-2-1-4-11(12)13(16)18/h1-2,4-5,9,19H,3,6,8,10H2