[2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[[2-chloranyl-6-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[2-chloro-6-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C18H14ClF3N4O3 MolecularWeight: 426.77697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)C(F)(F)F)N=N1

InChI

InChI=1S/C18H14ClF3N4O3/c1-2-26-14-7-6-10(8-13(14)24-25-26)17(28)29-9-15(27)23-16-11(18(20,21)22)4-3-5-12(16)19/h3-8H,2,9H2,1H3,(H,23,27)