methyl 3-cyano-5-pyrrol-1-yl-benzoate

Systemtic Name: methyl 3-cyano-5-pyrrol-1-yl-benzoate Openeye Name: methyl 3-cyano-5-pyrrol-1-yl-benzoate CAS Name: 3-cyano-5-(1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-cyano-5-pyrrol-1-ylbenzoate Traditional Name: 3-cyano-5-pyrrol-1-yl-benzoic acid methyl ester Formula: C13H10N2O2 MolecularWeight: 226.2307

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C#N)N2C=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C#N)N2C=CC=C2

InChI

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