ethyl 4-[2-cyano-4-(hydroxymethyl)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[2-cyano-4-(hydroxymethyl)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[2-cyano-4-(hydroxymethyl)pyrrol-1-yl]benzoate CAS Name: 4-[2-cyano-4-(hydroxymethyl)-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-cyano-4-(hydroxymethyl)pyrrol-1-yl]benzoate Traditional Name: 4-(2-cyano-4-methylol-pyrrol-1-yl)benzoic acid ethyl ester Formula: C15H14N2O3 MolecularWeight: 270.28326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C(C=C2C#N)CO

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C(C=C2C#N)CO

InChI

InChI=1S/C15H14N2O3/c1-2-20-15(19)12-3-5-13(6-4-12)17-9-11(10-18)7-14(17)8-16/h3-7,9,18H,2,10H2,1H3