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

Systemtic Name: 2-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]ethanoate Openeye Name: 2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]acetate CAS Name: 2-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]acetate IUPAC Name: 2-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]acetate Traditional Name: 2-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)propanoyl]amino]acetate Formula: C12H11N4O4- MolecularWeight: 275.24014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4/c1-7(11(19)13-6-10(17)18)16-12(20)8-4-2-3-5-9(8)14-15-16/h2-5,7H,6H2,1H3,(H,13,19)(H,17,18)/p-1/t7-/m0/s1