[2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-oxo-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-[[(2R)-2-oxolanyl]methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-[[(2R)-tetrahydrofuran-2-yl]methylamino]ethyl] ester Formula: C16H20N4O4 MolecularWeight: 332.3544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3CCCO3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC[C@H]3CCCO3)N=N1

InChI

InChI=1S/C16H20N4O4/c1-2-20-14-6-5-11(8-13(14)18-19-20)16(22)24-10-15(21)17-9-12-4-3-7-23-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,17,21)/t12-/m1/s1