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

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxidanylidene-5-(oxolan-2-yl)pentanoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-oxo-5-tetrahydrofuran-2-yl-pentanoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxo-5-(2-oxolanyl)pentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-3-oxo-5-(oxolan-2-yl)pentanoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-5-(tetrahydrofuryl)valeric acid ethyl ester Formula: C20H25NO8 MolecularWeight: 407.4144

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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)CCC3CCCO3

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)CCC3CCCO3

InChI

InChI=1S/C20H25NO8/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/h5,8,10,14-15,19H,2-4,6-7,9,11-12H2,1H3