(2R)-1-[(2R)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2R)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2R)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2R)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]pyrrolidine-2-carboxylate Formula: C17H19N4O4- MolecularWeight: 343.35716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H20N4O4/c1-10(2)14(16(23)20-9-5-8-13(20)17(24)25)21-15(22)11-6-3-4-7-12(11)18-19-21/h3-4,6-7,10,13-14H,5,8-9H2,1-2H3,(H,24,25)/p-1/t13-,14-/m1/s1