O2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester O4-isopropyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C20H20ClN3O5/c1-10(2)29-19(26)17-11(3)18(23-12(17)4)20(27)28-9-16(25)24-14-6-5-13(8-22)15(21)7-14/h5-7,10,23H,9H2,1-4H3,(H,24,25)