ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(furan-3-yl)-3-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(furan-3-yl)-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(3-furyl)-3-oxo-pentanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(3-furanyl)-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(furan-3-yl)-3-oxopentanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(3-furyl)-3-keto-valeric acid ethyl ester Formula: C20H21NO8 MolecularWeight: 403.38264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3=COC=C3

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3=COC=C3

InChI

InChI=1S/C20H21NO8/c1-2-27-20(23)19(16(22)5-3-13-7-8-26-11-13)15(10-21(24)25)14-4-6-17-18(9-14)29-12-28-17/h4,6-9,11,15,19H,2-3,5,10,12H2,1H3