(4-oxidanylidene-1,2,3-benzotriazin-3-yl) (2S)-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl) (2S)-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl) (2S)-2-(benzyloxycarbonylamino)butanoate CAS Name: (2S)-2-(phenylmethoxycarbonylamino)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl) ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl) (2S)-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)butyric acid (4-keto-1,2,3-benzotriazin-3-yl) ester Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)ON1C(=O)C2=CC=CC=C2N=N1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)ON1C(=O)C2=CC=CC=C2N=N1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18N4O5/c1-2-15(20-19(26)27-12-13-8-4-3-5-9-13)18(25)28-23-17(24)14-10-6-7-11-16(14)21-22-23/h3-11,15H,2,12H2,1H3,(H,20,26)/t15-/m0/s1