2-ethyl-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 2-ethyl-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 2-ethyl-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 2-ethyl-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 2-ethyl-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 2-ethyl-1-keto-isoquinoline-3-carboxylic acid Formula: C12H11NO3 MolecularWeight: 217.22064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO3/c1-2-13-10(12(15)16)7-8-5-3-4-6-9(8)11(13)14/h3-7H,2H2,1H3,(H,15,16)