2-[2-cyanoethyl(methyl)amino]quinoline-4-carboxylic acid

Systemtic Name: 2-[2-cyanoethyl(methyl)amino]quinoline-4-carboxylic acid Openeye Name: 2-[2-cyanoethyl(methyl)amino]quinoline-4-carboxylic acid CAS Name: 2-[2-cyanoethyl(methyl)amino]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-cyanoethyl(methyl)amino]quinoline-4-carboxylic acid Traditional Name: 2-[2-cyanoethyl(methyl)amino]cinchoninic acid Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=NC2=CC=CC=C2C(=C1)C(=O)O

Isomeric SMILES

CN(CCC#N)C1=NC2=CC=CC=C2C(=C1)C(=O)O

InChI

InChI=1S/C14H13N3O2/c1-17(8-4-7-15)13-9-11(14(18)19)10-5-2-3-6-12(10)16-13/h2-3,5-6,9H,4,8H2,1H3,(H,18,19)