5-cyano-1-oxidanylidene-2-prop-2-ynyl-isoquinoline-3-carboxylic acid

Systemtic Name: 5-cyano-1-oxidanylidene-2-prop-2-ynyl-isoquinoline-3-carboxylic acid Openeye Name: 5-cyano-1-oxo-2-prop-2-ynyl-isoquinoline-3-carboxylic acid CAS Name: 5-cyano-1-oxo-2-prop-2-ynyl-3-isoquinolinecarboxylic acid IUPAC Name: 5-cyano-1-oxo-2-prop-2-ynylisoquinoline-3-carboxylic acid Traditional Name: 5-cyano-1-keto-2-propargyl-isoquinoline-3-carboxylic acid Formula: C14H8N2O3 MolecularWeight: 252.22492

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=CC2=C(C=CC=C2C1=O)C#N)C(=O)O

Isomeric SMILES

C#CCN1C(=CC2=C(C=CC=C2C1=O)C#N)C(=O)O

InChI

InChI=1S/C14H8N2O3/c1-2-6-16-12(14(18)19)7-11-9(8-15)4-3-5-10(11)13(16)17/h1,3-5,7H,6H2,(H,18,19)