methyl 5-(cyanomethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-(cyanomethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-(cyanomethyl)-1H-pyrrole-2-carboxylate CAS Name: 5-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(cyanomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C8H8N2O2 MolecularWeight: 164.16132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(N1)CC#N

Isomeric SMILES

COC(=O)C1=CC=C(N1)CC#N

InChI

InChI=1S/C8H8N2O2/c1-12-8(11)7-3-2-6(10-7)4-5-9/h2-3,10H,4H2,1H3