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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3=CC=CO3

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3=CC=CO3

InChI

InChI=1S/C20H21NO8/c1-2-26-20(23)19(16(22)7-6-14-4-3-9-27-14)15(11-21(24)25)13-5-8-17-18(10-13)29-12-28-17/h3-5,8-10,15,19H,2,6-7,11-12H2,1H3