methyl 4-(3-cyanopyrrol-1-yl)benzoate

Systemtic Name: methyl 4-(3-cyanopyrrol-1-yl)benzoate Openeye Name: methyl 4-(3-cyanopyrrol-1-yl)benzoate CAS Name: 4-(3-cyano-1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyanopyrrol-1-yl)benzoate Traditional Name: 4-(3-cyanopyrrol-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=C(C=C1)N2C=CC(=C2)C#N

Isomeric SMILES

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

InChI

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