ethyl (2R)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5-dimethyl-3-oxidanylidene-octanoate

Systemtic Name: ethyl (2R)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5-dimethyl-3-oxidanylidene-octanoate Openeye Name: ethyl (2R)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5-dimethyl-3-oxo-octanoate CAS Name: (2R)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitroethyl]-5,5-dimethyl-3-oxooctanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitroethyl]-5,5-dimethyl-3-oxooctanoate Traditional Name: (2R)-3-keto-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5-dimethyl-caprylic acid ethyl ester Formula: C22H31NO8 MolecularWeight: 437.48344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C(=C1)OC)OCO2)C(=O)OCC

Isomeric SMILES

CCCC(C)(C)CC(=O)[C@@H](C(C[N+](=O)[O-])C1=CC2=C(C(=C1)OC)OCO2)C(=O)OCC

InChI

InChI=1S/C22H31NO8/c1-6-8-22(3,4)11-16(24)19(21(25)29-7-2)15(12-23(26)27)14-9-17(28-5)20-18(10-14)30-13-31-20/h9-10,15,19H,6-8,11-13H2,1-5H3/t15?,19-/m1/s1