methyl (E)-8-(1,3-benzodioxol-5-yl)-8-nitro-oct-2-enoate

Systemtic Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-8-nitro-oct-2-enoate Openeye Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-8-nitro-oct-2-enoate CAS Name: (E)-8-(1,3-benzodioxol-5-yl)-8-nitro-2-octenoic acid methyl ester IUPAC Name: methyl (E)-8-(1,3-benzodioxol-5-yl)-8-nitrooct-2-enoate Traditional Name: (E)-8-(1,3-benzodioxol-5-yl)-8-nitro-oct-2-enoic acid methyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCCC(C1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C/CCCCC(C1=CC2=C(C=C1)OCO2)[N+](=O)[O-]

InChI

InChI=1S/C16H19NO6/c1-21-16(18)7-5-3-2-4-6-13(17(19)20)12-8-9-14-15(10-12)23-11-22-14/h5,7-10,13H,2-4,6,11H2,1H3/b7-5+