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

Systemtic Name: 3-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]propanoate Openeye Name: 3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]propanoate CAS Name: 3-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]propanoate IUPAC Name: 3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]propionate Formula: C18H15N4O4- MolecularWeight: 351.3361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCCC(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C(=O)NCCC(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H16N4O4/c23-15(24)10-11-19-17(25)16(12-6-2-1-3-7-12)22-18(26)13-8-4-5-9-14(13)20-21-22/h1-9,16H,10-11H2,(H,19,25)(H,23,24)/p-1/t16-/m0/s1