5-cyano-1-oxidanylidene-2H-isoquinoline-3-carboxylic acid

Systemtic Name: 5-cyano-1-oxidanylidene-2H-isoquinoline-3-carboxylic acid Openeye Name: 5-cyano-1-oxo-2H-isoquinoline-3-carboxylic acid CAS Name: 5-cyano-1-oxo-2H-isoquinoline-3-carboxylic acid IUPAC Name: 5-cyano-1-oxo-2H-isoquinoline-3-carboxylic acid Traditional Name: 5-cyano-1-keto-2H-isoquinoline-3-carboxylic acid Formula: C11H6N2O3 MolecularWeight: 214.17694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(NC(=O)C2=C1)C(=O)O)C#N

Isomeric SMILES

C1=CC(=C2C=C(NC(=O)C2=C1)C(=O)O)C#N

InChI

InChI=1S/C11H6N2O3/c12-5-6-2-1-3-7-8(6)4-9(11(15)16)13-10(7)14/h1-4H,(H,13,14)(H,15,16)