[2-[(E)-N-acetyloxy-C-(4-chloranylisoquinolin-1-yl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate

Systemtic Name: [2-[(E)-N-acetyloxy-C-(4-chloranylisoquinolin-1-yl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate Openeye Name: [2-[(E)-N-acetoxy-C-(4-chloro-1-isoquinolyl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate CAS Name: (E)-3-methoxy-2-propenoic acid [2-[(E)-acetyloxyimino-(4-chloro-1-isoquinolinyl)methyl]phenyl] ester IUPAC Name: [2-[(E)-N-acetyloxy-C-(4-chloroisoquinolin-1-yl)carbonimidoyl]phenyl] (E)-3-methoxyprop-2-enoate Traditional Name: (E)-3-methoxyacrylic acid [2-[(E)-N-acetoxy-C-(4-chloro-1-isoquinolyl)carbonimidoyl]phenyl] ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON=C(C1=CC=CC=C1OC(=O)C=COC)C2=NC=C(C3=CC=CC=C32)Cl

Isomeric SMILES

CC(=O)O/N=C(\C1=CC=CC=C1OC(=O)/C=C/OC)/C2=NC=C(C3=CC=CC=C32)Cl

InChI

InChI=1S/C22H17ClN2O5/c1-14(26)30-25-22(21-16-8-4-3-7-15(16)18(23)13-24-21)17-9-5-6-10-19(17)29-20(27)11-12-28-2/h3-13H,1-2H3/b12-11+,25-22+