[(2S)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(2S)-1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-2-keto-2-(2-ketoimidazolidin-1-yl)-1-methyl-ethyl] ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](C(=O)N1CCNC1=O)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H19N5O4/c1-13(18(26)24-11-10-21-20(24)28)29-19(27)15-8-6-14(7-9-15)12-25-17-5-3-2-4-16(17)22-23-25/h2-9,13H,10-12H2,1H3,(H,21,28)/t13-/m0/s1