[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 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-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4/c1-13-6-7-16(14(2)10-13)18(24)12-26-21(25)19-15(3)27-20(17(19)11-22)23-8-4-5-9-23/h4-10H,12H2,1-3H3