ethyl (E)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitro-ethyl]-4,4-dimethyl-3-oxidanylidene-hept-5-enoate

Systemtic Name: ethyl (E)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitro-ethyl]-4,4-dimethyl-3-oxidanylidene-hept-5-enoate Openeye Name: ethyl (E)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitro-ethyl]-4,4-dimethyl-3-oxo-hept-5-enoate CAS Name: (E)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitroethyl]-4,4-dimethyl-3-oxo-5-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitroethyl]-4,4-dimethyl-3-oxohept-5-enoate Traditional Name: (E)-3-keto-2-[1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitro-ethyl]-4,4-dimethyl-hept-5-enoic acid ethyl ester Formula: C21H27NO8 MolecularWeight: 421.44098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO8/c1-6-8-21(3,4)19(23)17(20(24)28-7-2)14(11-22(25)26)13-9-15(27-5)18-16(10-13)29-12-30-18/h6,8-10,14,17H,7,11-12H2,1-5H3/b8-6+