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

Systemtic Name: (2S)-1-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]pyrrolidine-2-carboxylate Formula: C14H13N4O4- MolecularWeight: 301.27742

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

InChI

InChI=1S/C14H14N4O4/c19-12(17-7-3-6-11(17)14(21)22)8-18-13(20)9-4-1-2-5-10(9)15-16-18/h1-2,4-5,11H,3,6-8H2,(H,21,22)/p-1/t11-/m0/s1