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

Systemtic Name: [2-[(E)-N-acetyloxy-C-(5-cyanoisoquinolin-3-yl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate Openeye Name: [2-[(E)-N-acetoxy-C-(5-cyano-3-isoquinolyl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate CAS Name: (E)-3-methoxy-2-propenoic acid [2-[(E)-acetyloxyimino-(5-cyano-3-isoquinolinyl)methyl]phenyl] ester IUPAC Name: [2-[(E)-N-acetyloxy-C-(5-cyanoisoquinolin-3-yl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate Traditional Name: (E)-3-methoxyacrylic acid [2-[(E)-N-acetoxy-C-(5-cyano-3-isoquinolyl)carbonimidoyl]phenyl] ester Formula: C23H17N3O5 MolecularWeight: 415.39818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C(C1=CC=CC=C1OC(=O)C=COC)C2=CC3=C(C=CC=C3C=N2)C#N

Isomeric SMILES

CC(=O)O/N=C(\C1=CC=CC=C1OC(=O)/C=C/OC)/C2=CC3=C(C=CC=C3C=N2)C#N

InChI

InChI=1S/C23H17N3O5/c1-15(27)31-26-23(18-8-3-4-9-21(18)30-22(28)10-11-29-2)20-12-19-16(13-24)6-5-7-17(19)14-25-20/h3-12,14H,1-2H3/b11-10+,26-23+