ethyl (E)-3-[[3-(1,2,3-triazol-1-ylmethyl)phenyl]amino]-2-[2,4,5-tris(fluoranyl)phenyl]carbonyl-prop-2-enoate

Systemtic Name: ethyl (E)-3-[[3-(1,2,3-triazol-1-ylmethyl)phenyl]amino]-2-[2,4,5-tris(fluoranyl)phenyl]carbonyl-prop-2-enoate Openeye Name: ethyl (E)-3-[3-(triazol-1-ylmethyl)anilino]-2-(2,4,5-trifluorobenzoyl)prop-2-enoate CAS Name: (E)-2-[oxo-(2,4,5-trifluorophenyl)methyl]-3-[3-(1-triazolylmethyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-(triazol-1-ylmethyl)anilino]-2-(2,4,5-trifluorobenzoyl)prop-2-enoate Traditional Name: (E)-3-[3-(triazol-1-ylmethyl)anilino]-2-(2,4,5-trifluorobenzoyl)acrylic acid ethyl ester Formula: C21H17F3N4O3 MolecularWeight: 430.37989

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC=CC(=C1)CN2C=CN=N2)C(=O)C3=CC(=C(C=C3F)F)F

Isomeric SMILES

CCOC(=O)/C(=C/NC1=CC=CC(=C1)CN2C=CN=N2)/C(=O)C3=CC(=C(C=C3F)F)F

InChI

InChI=1S/C21H17F3N4O3/c1-2-31-21(30)16(20(29)15-9-18(23)19(24)10-17(15)22)11-25-14-5-3-4-13(8-14)12-28-7-6-26-27-28/h3-11,25H,2,12H2,1H3/b16-11+