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

Systemtic Name: O1-ethyl O3-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O8 MolecularWeight: 390.34412

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)NCC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C(=O)NCC2=CC=CO2

InChI

InChI=1S/C18H18N2O8/c1-3-26-17(22)12-7-13(9-14(8-12)20(24)25)18(23)28-11(2)16(21)19-10-15-5-4-6-27-15/h4-9,11H,3,10H2,1-2H3,(H,19,21)