2-cyanoprop-2-enoic acid; 1,1,1-tris(fluoranyl)propan-2-yl 2-cyanoprop-2-enoate

Systemtic Name: 2-cyanoprop-2-enoic acid; 1,1,1-tris(fluoranyl)propan-2-yl 2-cyanoprop-2-enoate Openeye Name: 2-cyanoprop-2-enoic acid; (2,2,2-trifluoro-1-methyl-ethyl) 2-cyanoprop-2-enoate CAS Name: 2-cyano-2-propenoic acid; 2-cyano-2-propenoic acid 1,1,1-trifluoropropan-2-yl ester IUPAC Name: 2-cyanoprop-2-enoic acid; 1,1,1-trifluoropropan-2-yl 2-cyanoprop-2-enoate Traditional Name: 2-cyanoacrylic acid; 2-cyanoacrylic acid (2,2,2-trifluoro-1-methyl-ethyl) ester Formula: C11H9F3N2O4 MolecularWeight: 290.19537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(F)(F)F)OC(=O)C(=C)C#N.C=C(C#N)C(=O)O

Isomeric SMILES

CC(C(F)(F)F)OC(=O)C(=C)C#N.C=C(C#N)C(=O)O

InChI

InChI=1S/C7H6F3NO2.C4H3NO2/c1-4(3-11)6(12)13-5(2)7(8,9)10;1-3(2-5)4(6)7/h5H,1H2,2H3;1H2,(H,6,7)