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

Systemtic Name: methyl 3-[5-(azanylidynemethyl)-4-(2-hydroxyethyl)-1H-pyrrol-3-yl]propanoate Openeye Name: methyl 3-[4-(2-hydroxyethyl)-5-(nitridomethyl)-1H-pyrrol-3-yl]propanoate CAS Name: 3-[4-(2-hydroxyethyl)-5-(nitrilomethyl)-1H-pyrrol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(azanylidynemethyl)-4-(2-hydroxyethyl)-1H-pyrrol-3-yl]propanoate Traditional Name: 3-[4-(2-hydroxyethyl)-5-(nitrilomethyl)-1H-pyrrol-3-yl]propionic acid methyl ester Formula: C11H14N2O3 MolecularWeight: 223.233115

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CNC(=C1CCO)C#N

Isomeric SMILES

COC(=O)CCC1=CNC(=C1CCO)[13C]#N

InChI

InChI=1S/C11H14N2O3/c1-16-11(15)3-2-8-7-13-10(6-12)9(8)4-5-14/h7,13-14H,2-5H2,1H3/i6+1