methyl N-[3-aminocarbonyl-5-fluoranyl-2-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]methanimidate

Systemtic Name: methyl N-[3-aminocarbonyl-5-fluoranyl-2-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]methanimidate Openeye Name: methyl N-[3-carbamoyl-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]methanimidate CAS Name: N-[3-carbamoyl-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]methanimidic acid methyl ester IUPAC Name: methyl N-[3-carbamoyl-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]methanimidate Traditional Name: N-[3-carbamoyl-5-fluoro-2-[4-isocyano-3-(trifluoromethyl)phenyl]phenyl]formimidic acid methyl ester Formula: C17H11F4N3O2 MolecularWeight: 365.281753

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Descriptors Computed from Structure

Canonical SMILES:

COC=NC1=C(C(=CC(=C1)F)C(=O)N)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F

Isomeric SMILES

COC=NC1=C(C(=CC(=C1)F)C(=O)N)C2=CC(=C(C=C2)[N+]#[C-])C(F)(F)F

InChI

InChI=1S/C17H11F4N3O2/c1-23-13-4-3-9(5-12(13)17(19,20)21)15-11(16(22)25)6-10(18)7-14(15)24-8-26-2/h3-8H,2H3,(H2,22,25)