1-oxidanylidene-2-(3-oxidanylpropyl)isoquinoline-4-carboxylic acid

Systemtic Name: 1-oxidanylidene-2-(3-oxidanylpropyl)isoquinoline-4-carboxylic acid Openeye Name: 2-(3-hydroxypropyl)-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 2-(3-hydroxypropyl)-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 2-(3-hydroxypropyl)-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 2-(3-hydroxypropyl)-1-keto-isoquinoline-4-carboxylic acid Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)CCCO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)CCCO)C(=O)O

InChI

InChI=1S/C13H13NO4/c15-7-3-6-14-8-11(13(17)18)9-4-1-2-5-10(9)12(14)16/h1-2,4-5,8,15H,3,6-7H2,(H,17,18)