O1-acetamido O3-[(3-nitrophenyl)methyl] 2,2-diethylpropanedioate

Systemtic Name: O1-acetamido O3-[(3-nitrophenyl)methyl] 2,2-diethylpropanedioate Openeye Name: O1-acetamido O3-[(3-nitrophenyl)methyl] 2,2-diethylpropanedioate CAS Name: 2,2-diethylpropanedioic acid O1-acetamido ester O3-[(3-nitrophenyl)methyl] ester IUPAC Name: 1-O-acetamido 3-O-[(3-nitrophenyl)methyl] 2,2-diethylpropanedioate Traditional Name: 2,2-diethylmalonic acid O1-acetamido ester O3-(3-nitrobenzyl) ester Formula: C16H20N2O7 MolecularWeight: 352.3392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])C(=O)ONC(=O)C

Isomeric SMILES

CCC(CC)(C(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])C(=O)ONC(=O)C

InChI

InChI=1S/C16H20N2O7/c1-4-16(5-2,15(21)25-17-11(3)19)14(20)24-10-12-7-6-8-13(9-12)18(22)23/h6-9H,4-5,10H2,1-3H3,(H,17,19)