(phenylmethyl) N-[2-(3-fluoranyl-4-isocyano-phenyl)ethyl]carbamate

Systemtic Name: (phenylmethyl) N-[2-(3-fluoranyl-4-isocyano-phenyl)ethyl]carbamate Openeye Name: benzyl N-[2-(3-fluoro-4-isocyano-phenyl)ethyl]carbamate CAS Name: N-[2-(3-fluoro-4-isocyanophenyl)ethyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-(3-fluoro-4-isocyanophenyl)ethyl]carbamate Traditional Name: N-[2-(3-fluoro-4-isocyano-phenyl)ethyl]carbamic acid benzyl ester Formula: C17H15FN2O2 MolecularWeight: 298.311603

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C=C(C=C1)CCNC(=O)OCC2=CC=CC=C2)F

Isomeric SMILES

[C-]#[N+]C1=C(C=C(C=C1)CCNC(=O)OCC2=CC=CC=C2)F

InChI

InChI=1S/C17H15FN2O2/c1-19-16-8-7-13(11-15(16)18)9-10-20-17(21)22-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,(H,20,21)