(2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]propanoic acid

Systemtic Name: (2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoic acid Traditional Name: (2S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]propionic acid Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

C[C@@H](C(=O)O)NC(=O)CN1C(=O)C2=CC=CC=C2N=N1

InChI

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