methyl (E)-3-[4-(2-phenylethynyl)-1H-pyrrol-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(2-phenylethynyl)-1H-pyrrol-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(2-phenylethynyl)-1H-pyrrol-3-yl]prop-2-enoate CAS Name: (E)-3-[4-(2-phenylethynyl)-1H-pyrrol-3-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(2-phenylethynyl)-1H-pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-3-[4-(2-phenylethynyl)-1H-pyrrol-3-yl]acrylic acid methyl ester Formula: C16H13NO2 MolecularWeight: 251.27992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CNC=C1C#CC2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/C1=CNC=C1C#CC2=CC=CC=C2

InChI

InChI=1S/C16H13NO2/c1-19-16(18)10-9-15-12-17-11-14(15)8-7-13-5-3-2-4-6-13/h2-6,9-12,17H,1H3/b10-9+