O3-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2R)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester O1-methyl ester IUPAC Name: 3-O-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(1R)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester O1-methyl ester Formula: C20H24N2O7 MolecularWeight: 404.41376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O7/c1-13(18(23)21-9-8-14-6-4-3-5-7-14)29-20(25)16-10-15(19(24)28-2)11-17(12-16)22(26)27/h6,10-13H,3-5,7-9H2,1-2H3,(H,21,23)/t13-/m1/s1