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

Systemtic Name: ethyl (E)-3-(prop-2-enylamino)-2-[2,4,5-tris(fluoranyl)-3-methyl-6-nitro-phenyl]carbonyl-prop-2-enoate Openeye Name: ethyl (E)-3-(allylamino)-2-(2,4,5-trifluoro-3-methyl-6-nitro-benzoyl)prop-2-enoate CAS Name: (E)-2-[oxo-(2,4,5-trifluoro-3-methyl-6-nitrophenyl)methyl]-3-(prop-2-enylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(prop-2-enylamino)-2-(2,4,5-trifluoro-3-methyl-6-nitrobenzoyl)prop-2-enoate Traditional Name: (E)-3-(allylamino)-2-(2,4,5-trifluoro-3-methyl-6-nitro-benzoyl)acrylic acid ethyl ester Formula: C16H15F3N2O5 MolecularWeight: 372.29591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNCC=C)C(=O)C1=C(C(=C(C(=C1F)C)F)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C/NCC=C)/C(=O)C1=C(C(=C(C(=C1F)C)F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15F3N2O5/c1-4-6-20-7-9(16(23)26-5-2)15(22)10-11(17)8(3)12(18)13(19)14(10)21(24)25/h4,7,20H,1,5-6H2,2-3H3/b9-7+