methyl 5-chloranyl-4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-chloro-4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate CAS Name: 5-chloro-4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-chloro-4-(2-cyanoethyl)-3-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C11H10ClN3O2 MolecularWeight: 251.669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10ClN3O2/c1-17-11(16)9-7(4-6-14)8(3-2-5-13)10(12)15-9/h15H,2-4H2,1H3