tert-butyl (E)-7-(1,3-benzodioxol-5-yl)-8-nitro-oct-2-enoate

Systemtic Name: tert-butyl (E)-7-(1,3-benzodioxol-5-yl)-8-nitro-oct-2-enoate Openeye Name: tert-butyl (E)-7-(1,3-benzodioxol-5-yl)-8-nitro-oct-2-enoate CAS Name: (E)-7-(1,3-benzodioxol-5-yl)-8-nitro-2-octenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-7-(1,3-benzodioxol-5-yl)-8-nitrooct-2-enoate Traditional Name: (E)-7-(1,3-benzodioxol-5-yl)-8-nitro-oct-2-enoic acid tert-butyl ester Formula: C19H25NO6 MolecularWeight: 363.4049

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO6/c1-19(2,3)26-18(21)8-6-4-5-7-15(12-20(22)23)14-9-10-16-17(11-14)25-13-24-16/h6,8-11,15H,4-5,7,12-13H2,1-3H3/b8-6+