(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S,4R)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S,4R)-1-(2-nitrophenyl)sulfonyl-4-oxidanyl-pyrrolidine-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-2-pyrrolidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-(2-nitrophenyl)sulfonyl-pyrrolidine-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H17N5O8S MolecularWeight: 475.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])O

Isomeric SMILES

C1[C@H](CN([C@@H]1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])O

InChI

InChI=1S/C19H17N5O8S/c25-12-9-16(23(10-12)33(30,31)17-8-4-3-7-15(17)24(28)29)19(27)32-11-22-18(26)13-5-1-2-6-14(13)20-21-22/h1-8,12,16,25H,9-11H2/t12-,16+/m1/s1