methyl (E)-3-bromanyl-3-(2-chloranyl-3-fluoranyl-phenyl)-2-isocyano-prop-2-enoate

Systemtic Name: methyl (E)-3-bromanyl-3-(2-chloranyl-3-fluoranyl-phenyl)-2-isocyano-prop-2-enoate Openeye Name: methyl (E)-3-bromo-3-(2-chloro-3-fluoro-phenyl)-2-isocyano-prop-2-enoate CAS Name: (E)-3-bromo-3-(2-chloro-3-fluorophenyl)-2-isocyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-bromo-3-(2-chloro-3-fluorophenyl)-2-isocyanoprop-2-enoate Traditional Name: (E)-3-bromo-3-(2-chloro-3-fluoro-phenyl)-2-isocyano-acrylic acid methyl ester Formula: C11H6BrClFNO2 MolecularWeight: 318.526243

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C1=C(C(=CC=C1)F)Cl)Br)[N+]#[C-]

Isomeric SMILES

COC(=O)/C(=C(/C1=C(C(=CC=C1)F)Cl)\Br)/[N+]#[C-]

InChI

InChI=1S/C11H6BrClFNO2/c1-15-10(11(16)17-2)8(12)6-4-3-5-7(14)9(6)13/h3-5H,2H3/b10-8+