methyl 2,2-dimethylpropanoate; (4-nitrophenyl) carbonate

Systemtic Name: methyl 2,2-dimethylpropanoate; (4-nitrophenyl) carbonate Openeye Name: methyl 2,2-dimethylpropanoate; (4-nitrophenyl) carbonate CAS Name: 2,2-dimethylpropanoic acid methyl ester; (4-nitrophenyl) carbonate IUPAC Name: methyl 2,2-dimethylpropanoate; (4-nitrophenyl) carbonate Traditional Name: 2,2-dimethylpropionic acid methyl ester; (4-nitrophenyl) carbonate Formula: C13H16NO7- MolecularWeight: 298.26864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OC.C1=CC(=CC=C1[N+](=O)[O-])OC(=O)[O-]

InChI

InChI=1S/C7H5NO5.C6H12O2/c9-7(10)13-6-3-1-5(2-4-6)8(11)12;1-6(2,3)5(7)8-4/h1-4H,(H,9,10);1-4H3/p-1