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

Systemtic Name: (2S)-1-[4-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[1-oxo-4-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-(4-keto-1,2,3-benzotriazin-3-yl)butanoyl]proline Formula: C16H18N4O4 MolecularWeight: 330.33852

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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)/t13-/m0/s1