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

Systemtic Name: O2-[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester O4-ethyl ester IUPAC Name: 2-O-[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester O4-ethyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OC(C)C(=O)NC2=CC=CC=C2C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)O[C@H](C)C(=O)NC2=CC=CC=C2C#N)C

InChI

InChI=1S/C20H21N3O5/c1-5-27-19(25)16-11(2)17(22-12(16)3)20(26)28-13(4)18(24)23-15-9-7-6-8-14(15)10-21/h6-9,13,22H,5H2,1-4H3,(H,23,24)/t13-/m1/s1