butyl (E)-3-phenylazanyl-2-[2,4,5-tris(fluoranyl)-3-methyl-6-nitro-phenyl]carbonyl-prop-2-enoate

Systemtic Name: butyl (E)-3-phenylazanyl-2-[2,4,5-tris(fluoranyl)-3-methyl-6-nitro-phenyl]carbonyl-prop-2-enoate Openeye Name: butyl (E)-3-anilino-2-(2,4,5-trifluoro-3-methyl-6-nitro-benzoyl)prop-2-enoate CAS Name: (E)-3-anilino-2-[oxo-(2,4,5-trifluoro-3-methyl-6-nitrophenyl)methyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-anilino-2-(2,4,5-trifluoro-3-methyl-6-nitrobenzoyl)prop-2-enoate Traditional Name: (E)-3-anilino-2-(2,4,5-trifluoro-3-methyl-6-nitro-benzoyl)acrylic acid butyl ester Formula: C21H19F3N2O5 MolecularWeight: 436.38117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CNC1=CC=CC=C1)C(=O)C2=C(C(=C(C(=C2F)C)F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)/C(=C/NC1=CC=CC=C1)/C(=O)C2=C(C(=C(C(=C2F)C)F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H19F3N2O5/c1-3-4-10-31-21(28)14(11-25-13-8-6-5-7-9-13)20(27)15-16(22)12(2)17(23)18(24)19(15)26(29)30/h5-9,11,25H,3-4,10H2,1-2H3/b14-11+