diethyl 2-acetamido-2-[[4-(4-nitrophenoxy)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[4-(4-nitrophenoxy)phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[4-(4-nitrophenoxy)phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[4-(4-nitrophenoxy)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[4-(4-nitrophenoxy)phenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[4-(4-nitrophenoxy)benzyl]malonic acid diethyl ester Formula: C22H24N2O8 MolecularWeight: 444.43456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC2=CC=C(C=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C22H24N2O8/c1-4-30-20(26)22(23-15(3)25,21(27)31-5-2)14-16-6-10-18(11-7-16)32-19-12-8-17(9-13-19)24(28)29/h6-13H,4-5,14H2,1-3H3,(H,23,25)