O3-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester O1-ethyl ester Formula: C23H26N2O7 MolecularWeight: 442.46174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O7/c1-5-31-21(27)17-11-18(13-19(12-17)25(29)30)22(28)32-15-20(26)24(23(2,3)4)14-16-9-7-6-8-10-16/h6-13H,5,14-15H2,1-4H3