O1-methyl O3-[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: 1-O-methyl 3-O-[1-oxo-1-(1-phenylethylamino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester O1-methyl ester Formula: C20H20N2O7 MolecularWeight: 400.382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-12(14-7-5-4-6-8-14)21-18(23)13(2)29-20(25)16-9-15(19(24)28-3)10-17(11-16)22(26)27/h4-13H,1-3H3,(H,21,23)