methyl 3-[5-(azanylidynemethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate

Systemtic Name: methyl 3-[5-(azanylidynemethyl)-4-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrol-3-yl]propanoate Openeye Name: methyl 3-[4-(2-methoxy-2-oxo-ethyl)-5-(nitridomethyl)-1H-pyrrol-3-yl]propanoate CAS Name: 3-[4-(2-methoxy-2-oxoethyl)-5-(nitrilomethyl)-1H-pyrrol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(azanylidynemethyl)-4-(2-methoxy-2-oxoethyl)-1H-pyrrol-3-yl]propanoate Traditional Name: 3-[4-(2-keto-2-methoxy-ethyl)-5-(nitrilomethyl)-1H-pyrrol-3-yl]propionic acid methyl ester Formula: C12H14N2O4 MolecularWeight: 251.243215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CNC(=C1CC(=O)OC)C#N

Isomeric SMILES

COC(=O)CCC1=CNC(=C1CC(=O)OC)[13C]#N

InChI

InChI=1S/C12H14N2O4/c1-17-11(15)4-3-8-7-14-10(6-13)9(8)5-12(16)18-2/h7,14H,3-5H2,1-2H3/i6+1