[2-[(E)-N-acetyloxy-C-(5-fluoranylisoquinolin-3-yl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate

Systemtic Name: [2-[(E)-N-acetyloxy-C-(5-fluoranylisoquinolin-3-yl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate Openeye Name: [2-[(E)-N-acetoxy-C-(5-fluoro-3-isoquinolyl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate CAS Name: (E)-3-methoxy-2-propenoic acid [2-[(E)-acetyloxyimino-(5-fluoro-3-isoquinolinyl)methyl]phenyl] ester IUPAC Name: [2-[(E)-N-acetyloxy-C-(5-fluoroisoquinolin-3-yl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate Traditional Name: (E)-3-methoxyacrylic acid [2-[(E)-N-acetoxy-C-(5-fluoro-3-isoquinolyl)carbonimidoyl]phenyl] ester Formula: C22H17FN2O5 MolecularWeight: 408.379183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C(C1=CC=CC=C1OC(=O)C=COC)C2=NC=C3C=CC=C(C3=C2)F

Isomeric SMILES

CC(=O)O/N=C(\C1=CC=CC=C1OC(=O)/C=C/OC)/C2=NC=C3C=CC=C(C3=C2)F

InChI

InChI=1S/C22H17FN2O5/c1-14(26)30-25-22(19-12-17-15(13-24-19)6-5-8-18(17)23)16-7-3-4-9-20(16)29-21(27)10-11-28-2/h3-13H,1-2H3/b11-10+,25-22+