methyl 4-(4-cyano-1H-pyrrol-3-yl)benzoate

Systemtic Name: methyl 4-(4-cyano-1H-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(4-cyano-1H-pyrrol-3-yl)benzoate CAS Name: 4-(4-cyano-1H-pyrrol-3-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-cyano-1H-pyrrol-3-yl)benzoate Traditional Name: 4-(4-cyano-1H-pyrrol-3-yl)benzoic acid methyl ester Formula: C13H10N2O2 MolecularWeight: 226.2307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CNC=C2C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CNC=C2C#N

InChI

InChI=1S/C13H10N2O2/c1-17-13(16)10-4-2-9(3-5-10)12-8-15-7-11(12)6-14/h2-5,7-8,15H,1H3