ethyl 4-[3-chloranyl-4-(4-ethylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-chloranyl-4-(4-ethylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-chloro-4-(4-ethylpiperazin-1-yl)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-4-(4-ethyl-1-piperazinyl)-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-chloro-4-(4-ethylpiperazin-1-yl)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-4-(4-ethylpiperazino)-2,5-diketo-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C19H22ClN3O4 MolecularWeight: 391.84868

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC)Cl

InChI

InChI=1S/C19H22ClN3O4/c1-3-21-9-11-22(12-10-21)16-15(20)17(24)23(18(16)25)14-7-5-13(6-8-14)19(26)27-4-2/h5-8H,3-4,9-12H2,1-2H3