943631-80-9 Purity
96%
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Specification
The molecular formula of the compound is C16H19NO6.
The compound was created on 2007-10-02 and modified on 2023-12-30.
The molecular weight of the compound is 321.32 g/mol.
The IUPAC Name of the compound is methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2,4-dioxobutanoate.
The InChI of the compound is InChI=1S/C16H19NO6/c1-16(2,3)23-15(21)17-11-7-5-6-10(8-11)12(18)9-13(19)14(20)22-4/h5-8H,9H2,1-4H3,(H,17,21).
The InChIKey of the compound is FPFKQOSCTONVNT-UHFFFAOYSA-N.
The Canonical SMILES of the compound is CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)CC(=O)C(=O)OC.
The compound has 1 Hydrogen Bond Donor.
The Exact Mass of the compound is 321.12123733 g/mol.
Yes, the compound is Canonicalized.