methyl 2-[[(E)-2-cyano-3-[4-(phenylcarbonyloxy)phenyl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[4-(phenylcarbonyloxy)phenyl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-(4-benzoyloxyphenyl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-3-(4-benzoyloxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-benzoyloxyphenyl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-(4-benzoyloxyphenyl)-2-cyano-acryloyl]amino]benzoic acid methyl ester Formula: C25H18N2O5 MolecularWeight: 426.42082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H18N2O5/c1-31-25(30)21-9-5-6-10-22(21)27-23(28)19(16-26)15-17-11-13-20(14-12-17)32-24(29)18-7-3-2-4-8-18/h2-15H,1H3,(H,27,28)/b19-15+