methyl 4,5,6,7,8-pentaacetyloxy-2-(1-azanylethylidene)-3-(nitromethyl)octanoate

Systemtic Name: methyl 4,5,6,7,8-pentaacetyloxy-2-(1-azanylethylidene)-3-(nitromethyl)octanoate Openeye Name: methyl 4,5,6,7,8-pentaacetoxy-2-(1-aminoethylidene)-3-(nitromethyl)octanoate CAS Name: 4,5,6,7,8-pentaacetyloxy-2-(1-aminoethylidene)-3-(nitromethyl)octanoic acid methyl ester IUPAC Name: methyl 4,5,6,7,8-pentaacetyloxy-2-(1-aminoethylidene)-3-(nitromethyl)octanoate Traditional Name: 3-amino-2-[2,3,4,5,6-pentaacetoxy-1-(nitromethyl)hexyl]but-2-enoic acid methyl ester Formula: C22H32N2O14 MolecularWeight: 548.49448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(C[N+](=O)[O-])C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)N

Isomeric SMILES

CC(=C(C(C[N+](=O)[O-])C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)N

InChI

InChI=1S/C22H32N2O14/c1-10(23)18(22(30)33-7)16(8-24(31)32)19(36-13(4)27)21(38-15(6)29)20(37-14(5)28)17(35-12(3)26)9-34-11(2)25/h16-17,19-21H,8-9,23H2,1-7H3