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

Systemtic Name: 3-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]propanoate Openeye Name: 3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]propanoate CAS Name: 3-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropyl]amino]propanoate IUPAC Name: 3-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-3-phenylpropanoyl]amino]propanoate Traditional Name: 3-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-phenyl-propanoyl]amino]propionate Formula: C19H17N4O4- MolecularWeight: 365.36268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c24-17(25)10-11-20-18(26)16(12-13-6-2-1-3-7-13)23-19(27)14-8-4-5-9-15(14)21-22-23/h1-9,16H,10-12H2,(H,20,26)(H,24,25)/p-1/t16-/m0/s1