cyanomethyl 3-pyrrol-1-ylbenzoate

Systemtic Name: cyanomethyl 3-pyrrol-1-ylbenzoate Openeye Name: cyanomethyl 3-pyrrol-1-ylbenzoate CAS Name: 3-(1-pyrrolyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-pyrrol-1-ylbenzoate Traditional Name: 3-pyrrol-1-ylbenzoic acid cyanomethyl ester Formula: C13H10N2O2 MolecularWeight: 226.2307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=CC(=C2)C(=O)OCC#N

Isomeric SMILES

C1=CN(C=C1)C2=CC=CC(=C2)C(=O)OCC#N

InChI

InChI=1S/C13H10N2O2/c14-6-9-17-13(16)11-4-3-5-12(10-11)15-7-1-2-8-15/h1-5,7-8,10H,9H2