(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(2-phenoxyethanoylamino)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-2-(2-phenoxyethanoylamino)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate CAS Name: (2S)-2-[(1-oxo-2-phenoxyethyl)amino]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-2-[(2-phenoxyacetyl)amino]propanoate Traditional Name: (2S)-2-[(2-phenoxyacetyl)amino]propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O5/c1-13(20-17(24)11-27-14-7-3-2-4-8-14)19(26)28-12-23-18(25)15-9-5-6-10-16(15)21-22-23/h2-10,13H,11-12H2,1H3,(H,20,24)/t13-/m0/s1