(2-azanyl-2-oxidanylidene-ethyl) 2-[2,3,4-tris(chloranyl)phenyl]quinoline-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2,3,4-tris(chloranyl)phenyl]quinoline-4-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate CAS Name: 2-(2,3,4-trichlorophenyl)-4-quinolinecarboxylic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(2,3,4-trichlorophenyl)cinchoninic acid (2-amino-2-keto-ethyl) ester Formula: C18H11Cl3N2O3 MolecularWeight: 409.65054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C(=C(C=C3)Cl)Cl)Cl)C(=O)OCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=C(C(=C(C=C3)Cl)Cl)Cl)C(=O)OCC(=O)N

InChI

InChI=1S/C18H11Cl3N2O3/c19-12-6-5-10(16(20)17(12)21)14-7-11(18(25)26-8-15(22)24)9-3-1-2-4-13(9)23-14/h1-7H,8H2,(H2,22,24)