(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4)N=N1

InChI

InChI=1S/C19H18ClN3O4/c1-2-23-16-5-4-13(10-15(16)21-22-23)19(24)27-11-12-8-14(20)18-17(9-12)25-6-3-7-26-18/h4-5,8-10H,2-3,6-7,11H2,1H3