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

Systemtic Name: methyl 3-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-(4-fluoroanilino)-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-(4-fluoroanilino)-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-fluoroanilino)-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-(4-fluoroanilino)-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C16H13FN4O4 MolecularWeight: 344.297223

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN4O4/c1-24-16(23)10-2-7-13-14(8-10)21(20-19-13)25-9-15(22)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,22)