prop-2-enyl (E)-2-cyano-3-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate

Systemtic Name: prop-2-enyl (E)-2-cyano-3-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate Openeye Name: allyl (E)-2-cyano-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-2-cyano-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]acrylic acid allyl ester Formula: C15H11FN4O2 MolecularWeight: 298.271843

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)C(=CC1=CC(=C(C=C1)N2C=NC=N2)F)C#N

Isomeric SMILES

C=CCOC(=O)/C(=C/C1=CC(=C(C=C1)N2C=NC=N2)F)/C#N

InChI

InChI=1S/C15H11FN4O2/c1-2-5-22-15(21)12(8-17)6-11-3-4-14(13(16)7-11)20-10-18-9-19-20/h2-4,6-7,9-10H,1,5H2/b12-6+