cyanomethyl 4-pyrrol-1-ylbenzoate

Systemtic Name: cyanomethyl 4-pyrrol-1-ylbenzoate Openeye Name: cyanomethyl 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-pyrrol-1-ylbenzoate Traditional Name: 4-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=C(C=C2)C(=O)OCC#N

Isomeric SMILES

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

InChI

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