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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C

InChI

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