3-(1-ethylbenzotriazol-5-yl)carbonyloxypropyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: 3-(1-ethylbenzotriazol-5-yl)carbonyloxypropyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: 3-(1-ethylbenzotriazole-5-carbonyl)oxypropyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid 3-[(1-ethyl-5-benzotriazolyl)-oxomethoxy]propyl ester IUPAC Name: 3-(1-ethylbenzotriazole-5-carbonyl)oxypropyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid 3-(1-ethylbenzotriazole-5-carbonyl)oxypropyl ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCCCOC(=O)C3=CC4=C(C=C3)N(N=N4)CC)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCCCOC(=O)C3=CC4=C(C=C3)N(N=N4)CC)N=N1

InChI

InChI=1S/C21H22N6O4/c1-3-26-18-8-6-14(12-16(18)22-24-26)20(28)30-10-5-11-31-21(29)15-7-9-19-17(13-15)23-25-27(19)4-2/h6-9,12-13H,3-5,10-11H2,1-2H3