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

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxidanylidene-octanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxo-octanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxooctanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxooctanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-caprylic acid ethyl ester Formula: C19H25NO7 MolecularWeight: 379.4043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)OCC

InChI

InChI=1S/C19H25NO7/c1-3-5-6-7-15(21)18(19(22)25-4-2)14(11-20(23)24)13-8-9-16-17(10-13)27-12-26-16/h8-10,14,18H,3-7,11-12H2,1-2H3