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

Systemtic Name: butyl (E)-2-cyano-3-[3-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]prop-2-enoate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C16H15FN4O2 MolecularWeight: 314.314303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN4O2/c1-2-3-6-23-16(22)13(9-18)7-12-4-5-15(14(17)8-12)21-11-19-10-20-21/h4-5,7-8,10-11H,2-3,6H2,1H3/b13-7+