1-(2-cyanoethyl)-2-oxidanylidene-quinoline-4-carboxylic acid

Systemtic Name: 1-(2-cyanoethyl)-2-oxidanylidene-quinoline-4-carboxylic acid Openeye Name: 1-(2-cyanoethyl)-2-oxo-quinoline-4-carboxylic acid CAS Name: 1-(2-cyanoethyl)-2-oxo-4-quinolinecarboxylic acid IUPAC Name: 1-(2-cyanoethyl)-2-oxoquinoline-4-carboxylic acid Traditional Name: 1-(2-cyanoethyl)-2-keto-cinchoninic acid Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2CCC#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2CCC#N)C(=O)O

InChI

InChI=1S/C13H10N2O3/c14-6-3-7-15-11-5-2-1-4-9(11)10(13(17)18)8-12(15)16/h1-2,4-5,8H,3,7H2,(H,17,18)