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

Systemtic Name: methyl (2S,4R)-4-oxidanyl-1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-hydroxy-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-hydroxy-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1CN2C(=O)C3=CC=CC=C3N=N2)O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1CN2C(=O)C3=CC=CC=C3N=N2)O

InChI

InChI=1S/C14H16N4O4/c1-22-14(21)12-6-9(19)7-17(12)8-18-13(20)10-4-2-3-5-11(10)15-16-18/h2-5,9,12,19H,6-8H2,1H3/t9-,12+/m1/s1