(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H20N4O5 MolecularWeight: 348.3538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C16H20N4O5/c1-16(2,3)25-15(23)17-9-8-13(21)24-10-20-14(22)11-6-4-5-7-12(11)18-19-20/h4-7H,8-10H2,1-3H3,(H,17,23)