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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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