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

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dioxan-2-yl)-3-oxidanylidene-pentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dioxan-2-yl)-3-oxo-pentanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1,3-dioxan-2-yl)-3-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5-(1,3-dioxan-2-yl)-3-oxopentanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5-(1,3-dioxan-2-yl)-3-keto-valeric acid ethyl ester Formula: C20H25NO9 MolecularWeight: 423.4138

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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)CCC3OCCCO3

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3OCCCO3

InChI

InChI=1S/C20H25NO9/c1-2-26-20(23)19(15(22)5-7-18-27-8-3-9-28-18)14(11-21(24)25)13-4-6-16-17(10-13)30-12-29-16/h4,6,10,14,18-19H,2-3,5,7-9,11-12H2,1H3