(6-bromanyl-1,3-benzodioxol-5-yl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCO4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCO4)N=N1

InChI

InChI=1S/C17H14BrN3O4/c1-2-21-14-4-3-10(5-13(14)19-20-21)17(22)23-8-11-6-15-16(7-12(11)18)25-9-24-15/h3-7H,2,8-9H2,1H3