methyl (2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]propionic acid methyl ester Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-8(13(20)21-2)14-11(18)7-17-12(19)9-5-3-4-6-10(9)15-16-17/h3-6,8H,7H2,1-2H3,(H,14,18)/t8-/m0/s1