[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O3/c1-19(10-4-9-17)15(20)11-22-16(21)14-8-7-12-5-2-3-6-13(12)18-14/h2-3,5-8H,4,10-11H2,1H3