2-[[(2R)-4-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]ethanoate

Systemtic Name: 2-[[(2R)-4-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)pentanoyl]amino]ethanoate Openeye Name: 2-[[(2R)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]acetate CAS Name: 2-[[(2R)-4-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentyl]amino]acetate IUPAC Name: 2-[[(2R)-4-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoyl]amino]acetate Traditional Name: 2-[[(2R)-2-(4-keto-1,2,3-benzotriazin-3-yl)-4-methyl-pentanoyl]amino]acetate Formula: C15H17N4O4- MolecularWeight: 317.31988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)C[C@H](C(=O)NCC(=O)[O-])N1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C15H18N4O4/c1-9(2)7-12(14(22)16-8-13(20)21)19-15(23)10-5-3-4-6-11(10)17-18-19/h3-6,9,12H,7-8H2,1-2H3,(H,16,22)(H,20,21)/p-1/t12-/m1/s1