(4-chlorophenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: (4-chlorophenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid (4-chlorobenzyl) ester Formula: C18H13ClN2O3 MolecularWeight: 340.76042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2O3/c1-12-16(15(10-20)17(24-12)21-8-2-3-9-21)18(22)23-11-13-4-6-14(19)7-5-13/h2-9H,11H2,1H3