(3-fluoranyl-4-methoxy-phenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H14FNO7 MolecularWeight: 375.304663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)F

InChI

InChI=1S/C18H14FNO7/c1-24-15-4-2-11(6-13(15)19)9-25-18(21)5-3-12-7-16-17(27-10-26-16)8-14(12)20(22)23/h2-8H,9-10H2,1H3/b5-3+