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

Systemtic Name: 1-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)hexanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)hexyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(4-keto-1,2,3-benzotriazin-3-yl)hexanoyl]proline Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCCC1C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCC(C(=O)N1CCCC1C(=O)O)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H22N4O4/c1-2-3-9-14(17(24)21-11-6-10-15(21)18(25)26)22-16(23)12-7-4-5-8-13(12)19-20-22/h4-5,7-8,14-15H,2-3,6,9-11H2,1H3,(H,25,26)