(2,6-dimethylphenyl) 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: (2,6-dimethylphenyl) 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid (2,6-dimethylphenyl) ester Formula: C19H16N2O3 MolecularWeight: 320.34194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C19H16N2O3/c1-12-7-6-8-13(2)17(12)24-19(22)16-14(3)23-18(15(16)11-20)21-9-4-5-10-21/h4-10H,1-3H3