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

Systemtic Name: 4-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)-2-phenyl-ethanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]butanoate CAS Name: 4-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylethyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)-2-phenylacetyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-2-phenyl-acetyl]amino]butyrate Formula: C19H17N4O4- MolecularWeight: 365.36268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4/c24-16(25)11-6-12-20-18(26)17(13-7-2-1-3-8-13)23-19(27)14-9-4-5-10-15(14)21-22-23/h1-5,7-10,17H,6,11-12H2,(H,20,26)(H,24,25)/p-1/t17-/m0/s1