ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5,7-trimethyl-3-oxidanylidene-oct-6-enoate

Systemtic Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5,7-trimethyl-3-oxidanylidene-oct-6-enoate Openeye Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-5,5,7-trimethyl-3-oxo-oct-6-enoate CAS Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5,5,7-trimethyl-3-oxo-6-octenoic acid ethyl ester IUPAC Name: ethyl 2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-5,5,7-trimethyl-3-oxooct-6-enoate Traditional Name: 2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-5,5,7-trimethyl-oct-6-enoic acid ethyl ester Formula: C22H29NO7 MolecularWeight: 419.46816

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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=C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO7/c1-6-28-21(25)20(17(24)11-22(4,5)10-14(2)3)16(12-23(26)27)15-7-8-18-19(9-15)30-13-29-18/h7-10,16,20H,6,11-13H2,1-5H3