[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] quinoline-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H15N3O3 MolecularWeight: 345.3514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H15N3O3/c21-12-13-23(16-7-2-1-3-8-16)19(24)14-26-20(25)18-11-10-15-6-4-5-9-17(15)22-18/h1-11H,13-14H2