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

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dithiolan-2-yl)-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dithiolan-2-yl)-3-oxo-pentanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1,3-dithiolan-2-yl)-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1,3-dithiolan-2-yl)-3-oxopentanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dithiolan-2-yl)-3-keto-valeric acid ethyl ester Formula: C19H23NO7S2 MolecularWeight: 441.51842

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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)CCC3SCCS3

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3SCCS3

InChI

InChI=1S/C19H23NO7S2/c1-2-25-19(22)18(14(21)4-6-17-28-7-8-29-17)13(10-20(23)24)12-3-5-15-16(9-12)27-11-26-15/h3,5,9,13,17-18H,2,4,6-8,10-11H2,1H3