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

Systemtic Name: ethyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-6-methyl-3-oxidanylidene-oct-6-enoate Openeye Name: ethyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-6-methyl-3-oxo-oct-6-enoate CAS Name: (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-6-methyl-3-oxo-6-octenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitroethyl]-6-methyl-3-oxooct-6-enoate Traditional Name: (E)-2-[1-(1,3-benzodioxol-5-yl)-2-nitro-ethyl]-3-keto-6-methyl-oct-6-enoic acid ethyl ester Formula: C20H25NO7 MolecularWeight: 391.415

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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)CCC(=CC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO7/c1-4-13(3)6-8-16(22)19(20(23)26-5-2)15(11-21(24)25)14-7-9-17-18(10-14)28-12-27-17/h4,7,9-10,15,19H,5-6,8,11-12H2,1-3H3/b13-4+