methyl 4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate CAS Name: 4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C11H11N3O2 MolecularWeight: 217.22394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CCC#N)CC#N

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CCC#N)CC#N

InChI

InChI=1S/C11H11N3O2/c1-16-11(15)10-9(4-6-13)8(7-14-10)3-2-5-12/h7,14H,2-4H2,1H3