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

Systemtic Name: methyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethoxy]benzotriazole-5-carboxylate Openeye Name: methyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethoxy]benzotriazole-5-carboxylate CAS Name: 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]-5-benzotriazolecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]benzotriazole-5-carboxylate Traditional Name: 3-[2-[(4-fluorobenzyl)amino]-2-keto-ethoxy]benzotriazole-5-carboxylic acid methyl ester Formula: C17H15FN4O4 MolecularWeight: 358.323803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H15FN4O4/c1-25-17(24)12-4-7-14-15(8-12)22(21-20-14)26-10-16(23)19-9-11-2-5-13(18)6-3-11/h2-8H,9-10H2,1H3,(H,19,23)