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

Systemtic Name: O2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(4-cyanoanilino)-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-(4-cyanoanilino)-2-oxoethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-(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-(4-cyanoanilino)-2-keto-ethyl] ester O4-isopropyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5/c1-11(2)28-19(25)17-12(3)18(22-13(17)4)20(26)27-10-16(24)23-15-7-5-14(9-21)6-8-15/h5-8,11,22H,10H2,1-4H3,(H,23,24)