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

Systemtic Name: 3-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoate Openeye Name: 3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoate CAS Name: 3-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]propanoate IUPAC Name: 3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)propanoyl]amino]propionate Formula: C13H13N4O4- MolecularWeight: 289.26672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O4/c1-8(12(20)14-7-6-11(18)19)17-13(21)9-4-2-3-5-10(9)15-16-17/h2-5,8H,6-7H2,1H3,(H,14,20)(H,18,19)/p-1/t8-/m0/s1