[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] quinoline-8-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] quinoline-8-carboxylate CAS Name: 8-quinolinecarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] quinoline-8-carboxylate Traditional Name: quinoline-8-carboxylic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H15N3O3 MolecularWeight: 345.3514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N)N=CC=C2

InChI

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