[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxo-ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NC(C)C3=CC4=C(C=C3)OCO4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N[C@H](C)C3=CC4=C(C=C3)OCO4)N=N1

InChI

InChI=1S/C20H20N4O5/c1-3-24-16-6-4-14(8-15(16)22-23-24)20(26)27-10-19(25)21-12(2)13-5-7-17-18(9-13)29-11-28-17/h4-9,12H,3,10-11H2,1-2H3,(H,21,25)/t12-/m1/s1