ethyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5-dimethyl-3-oxidanylidene-oct-6-enoate

Systemtic Name: ethyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5-dimethyl-3-oxidanylidene-oct-6-enoate Openeye Name: ethyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5-dimethyl-3-oxo-oct-6-enoate CAS Name: (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5,5-dimethyl-3-oxo-6-octenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5,5-dimethyl-3-oxooct-6-enoate Traditional Name: (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-5,5-dimethyl-oct-6-enoic acid ethyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

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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)CC(C)(C)C=CC

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO7/c1-5-9-21(3,4)11-16(23)19(20(24)27-6-2)15(12-22(25)26)14-7-8-17-18(10-14)29-13-28-17/h5,7-10,15,19H,6,11-13H2,1-4H3/b9-5+