3-(4-fluoranylphenoxy)propyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: 3-(4-fluorophenoxy)propyl (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-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl (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-(4-fluorophenoxy)propyl ester Formula: C19H16FNO7 MolecularWeight: 389.331243

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)OCCCOC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)OCCCOC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H16FNO7/c20-14-3-5-15(6-4-14)25-8-1-9-26-19(22)7-2-13-10-17-18(28-12-27-17)11-16(13)21(23)24/h2-7,10-11H,1,8-9,12H2/b7-2+