ethyl 4-(2-chloranyl-5-cyano-3-methyl-pyrrol-1-yl)benzoate

Systemtic Name: ethyl 4-(2-chloranyl-5-cyano-3-methyl-pyrrol-1-yl)benzoate Openeye Name: ethyl 4-(2-chloro-5-cyano-3-methyl-pyrrol-1-yl)benzoate CAS Name: 4-(2-chloro-5-cyano-3-methyl-1-pyrrolyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-5-cyano-3-methylpyrrol-1-yl)benzoate Traditional Name: 4-(2-chloro-5-cyano-3-methyl-pyrrol-1-yl)benzoic acid ethyl ester Formula: C15H13ClN2O2 MolecularWeight: 288.72892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2Cl)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2Cl)C)C#N

InChI

InChI=1S/C15H13ClN2O2/c1-3-20-15(19)11-4-6-12(7-5-11)18-13(9-17)8-10(2)14(18)16/h4-8H,3H2,1-2H3