(2R)-1-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[6-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[1-oxo-6-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[6-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[6-(4-keto-1,2,3-benzotriazin-3-yl)hexanoyl]pyrrolidine-2-carboxylate Formula: C18H21N4O4- MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3N=N2)C(=O)[O-]

InChI

InChI=1S/C18H22N4O4/c23-16(21-11-6-9-15(21)18(25)26)10-2-1-5-12-22-17(24)13-7-3-4-8-14(13)19-20-22/h3-4,7-8,15H,1-2,5-6,9-12H2,(H,25,26)/p-1/t15-/m1/s1