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

Systemtic Name: (2S)-1-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylate Formula: C16H17N4O4- MolecularWeight: 329.33058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

InChI

InChI=1S/C16H18N4O4/c21-14(19-9-3-7-13(19)16(23)24)8-4-10-20-15(22)11-5-1-2-6-12(11)17-18-20/h1-2,5-6,13H,3-4,7-10H2,(H,23,24)/p-1/t13-/m0/s1