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

Systemtic Name: methyl 3-[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-[4-(trifluoromethyl)anilino]ethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-keto-2-[4-(trifluoromethyl)anilino]ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C17H13F3N4O4 MolecularWeight: 394.30473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N4O4/c1-27-16(26)10-2-7-13-14(8-10)24(23-22-13)28-9-15(25)21-12-5-3-11(4-6-12)17(18,19)20/h2-8H,9H2,1H3,(H,21,25)