(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid (2-carbethoxybenzofuran-3-yl)methyl ester Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=C(OC4=CC=CC=C43)C(=O)OCC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=C(OC4=CC=CC=C43)C(=O)OCC)N=N1

InChI

InChI=1S/C21H19N3O5/c1-3-24-17-10-9-13(11-16(17)22-23-24)20(25)28-12-15-14-7-5-6-8-18(14)29-19(15)21(26)27-4-2/h5-11H,3-4,12H2,1-2H3