ethyl 4-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrol-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrol-3-yl]piperazine-1-carboxylate CAS Name: 4-[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-carbethoxyphenyl)-2,5-diketo-3-pyrrolin-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=C(C2=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H23N3O6/c1-3-28-19(26)14-5-7-15(8-6-14)23-17(24)13-16(18(23)25)21-9-11-22(12-10-21)20(27)29-4-2/h5-8,13H,3-4,9-12H2,1-2H3