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

Systemtic Name: 2-[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]acetate CAS Name: 2-[[(2S)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]acetate IUPAC Name: 2-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]amino]acetate Formula: C14H15N4O4- MolecularWeight: 303.2933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4/c1-8(2)12(13(21)15-7-11(19)20)18-14(22)9-5-3-4-6-10(9)16-17-18/h3-6,8,12H,7H2,1-2H3,(H,15,21)(H,19,20)/p-1/t12-/m0/s1