(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4)N=N1

InChI

InChI=1S/C18H16BrN3O4/c1-2-22-15-4-3-11(7-14(15)20-21-22)18(23)26-10-12-8-16-17(9-13(12)19)25-6-5-24-16/h3-4,7-9H,2,5-6,10H2,1H3