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

Systemtic Name: O3-[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester O1-ethyl ester IUPAC Name: 3-O-[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C23H26N2O7 MolecularWeight: 442.46174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC(=CC(=C2)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O7/c1-5-14(3)19-9-7-8-10-20(19)24-21(26)15(4)32-23(28)17-11-16(22(27)31-6-2)12-18(13-17)25(29)30/h7-15H,5-6H2,1-4H3,(H,24,26)