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

Systemtic Name: (2S)-1-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoyl]pyrrolidine-2-carboxylate Formula: C15H15N4O4- MolecularWeight: 315.304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

InChI

InChI=1S/C15H16N4O4/c20-13(18-8-3-6-12(18)15(22)23)7-9-19-14(21)10-4-1-2-5-11(10)16-17-19/h1-2,4-5,12H,3,6-9H2,(H,22,23)/p-1/t12-/m0/s1