ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dioxolan-2-yl)-5-methyl-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dioxolan-2-yl)-5-methyl-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dioxolan-2-yl)-5-methyl-3-oxo-hexanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1,3-dioxolan-2-yl)-5-methyl-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1,3-dioxolan-2-yl)-5-methyl-3-oxohexanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dioxolan-2-yl)-3-keto-5-methyl-hexanoic acid ethyl ester Formula: C21H27NO9 MolecularWeight: 437.44038

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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)CC(C)(C)C3OCCO3

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CC(C)(C)C3OCCO3

InChI

InChI=1S/C21H27NO9/c1-4-27-19(24)18(15(23)10-21(2,3)20-28-7-8-29-20)14(11-22(25)26)13-5-6-16-17(9-13)31-12-30-16/h5-6,9,14,18,20H,4,7-8,10-12H2,1-3H3