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

Systemtic Name: O3-[1-[(2,5-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2,5-dimethoxyanilino)-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,5-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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=CC(=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C21H22N2O9/c1-5-31-20(25)13-8-14(10-15(9-13)23(27)28)21(26)32-12(2)19(24)22-17-11-16(29-3)6-7-18(17)30-4/h6-12H,5H2,1-4H3,(H,22,24)