ethyl 4-[(3-chlorophenyl)methyl]-5-(2,2-dicyanoethenyl)-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(3-chlorophenyl)methyl]-5-(2,2-dicyanoethenyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(3-chlorophenyl)methyl]-5-(2,2-dicyanovinyl)-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(3-chlorophenyl)methyl]-5-(2,2-dicyanoethenyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chlorophenyl)methyl]-5-(2,2-dicyanoethenyl)-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(3-chlorobenzyl)-5-(2,2-dicyanovinyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H16ClN3O2 MolecularWeight: 353.80224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C=C(C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1CC2=CC(=CC=C2)Cl)C=C(C#N)C#N)C

InChI

InChI=1S/C19H16ClN3O2/c1-3-25-19(24)18-12(2)23-17(9-14(10-21)11-22)16(18)8-13-5-4-6-15(20)7-13/h4-7,9,23H,3,8H2,1-2H3