methyl 3-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate

Systemtic Name: methyl 3-[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-(4-chloro-2-fluoro-anilino)-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-(4-chloro-2-fluoro-anilino)-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C16H12ClFN4O4 MolecularWeight: 378.742283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C16H12ClFN4O4/c1-25-16(24)9-2-4-13-14(6-9)22(21-20-13)26-8-15(23)19-12-5-3-10(17)7-11(12)18/h2-7H,8H2,1H3,(H,19,23)