[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-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 [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 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-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C23H20N4O4 MolecularWeight: 416.4293

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OC(C)C(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)OC(C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H20N4O4/c1-16-20(19(15-25)22(30-16)26-12-6-7-13-26)23(29)31-17(2)21(28)27(14-8-11-24)18-9-4-3-5-10-18/h3-7,9-10,12-13,17H,8,14H2,1-2H3