3-cyano-2-methyl-quinoline-4-carboxylic acid

Systemtic Name: 3-cyano-2-methyl-quinoline-4-carboxylic acid Openeye Name: 3-cyano-2-methyl-quinoline-4-carboxylic acid CAS Name: 3-cyano-2-methyl-4-quinolinecarboxylic acid IUPAC Name: 3-cyano-2-methylquinoline-4-carboxylic acid Traditional Name: 3-cyano-2-methyl-cinchoninic acid Formula: C12H8N2O2 MolecularWeight: 212.20412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1C#N)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1C#N)C(=O)O

InChI

InChI=1S/C12H8N2O2/c1-7-9(6-13)11(12(15)16)8-4-2-3-5-10(8)14-7/h2-5H,1H3,(H,15,16)