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

Systemtic Name: methyl (E)-2-cyano-3-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C13H9FN4O2 MolecularWeight: 272.234563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9FN4O2/c1-20-13(19)10(6-15)4-9-2-3-12(11(14)5-9)18-8-16-7-17-18/h2-5,7-8H,1H3/b10-4+