(E)-3-[4-[bis(cyanomethyl)amino]-3-fluoranyl-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-fluoranyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-fluoro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-fluorophenyl]-2-propenoate IUPAC Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-fluorophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[bis(cyanomethyl)amino]-3-fluoro-phenyl]acrylate Formula: C13H9FN3O2- MolecularWeight: 258.227863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CC(=O)[O-])F)N(CC#N)CC#N

Isomeric SMILES

C1=CC(=C(C=C1/C=C/C(=O)[O-])F)N(CC#N)CC#N

InChI

InChI=1S/C13H10FN3O2/c14-11-9-10(2-4-13(18)19)1-3-12(11)17(7-5-15)8-6-16/h1-4,9H,7-8H2,(H,18,19)/p-1/b4-2+