O1-ethyl O3-[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-(2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C22H24N2O7 MolecularWeight: 428.43516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C22H24N2O7/c1-6-30-21(26)16-9-17(11-18(10-16)24(28)29)22(27)31-15(5)20(25)23-19-13(3)7-12(2)8-14(19)4/h7-11,15H,6H2,1-5H3,(H,23,25)