ethyl 4-[[2,5-bis(chloranyl)phenyl]methyl]-5-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[[2,5-bis(chloranyl)phenyl]methyl]-5-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-methyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-4-(2,5-dichlorobenzyl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H20Cl2N2O4 MolecularWeight: 435.3005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O4/c1-4-28-20(26)14(11-24)10-18-16(9-13-8-15(22)6-7-17(13)23)19(12(3)25-18)21(27)29-5-2/h6-8,10,25H,4-5,9H2,1-3H3