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

Systemtic Name: methyl 3-[3-chloranyl-2,5-bis(oxidanylidene)-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate Openeye Name: methyl 3-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate CAS Name: 3-[3-chloro-2,5-dioxo-4-(4-phenyl-1-piperazinyl)-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 3-[3-chloro-2,5-dioxo-4-(4-phenylpiperazin-1-yl)pyrrol-1-yl]benzoate Traditional Name: 3-[3-chloro-2,5-diketo-4-(4-phenylpiperazino)-3-pyrrolin-1-yl]benzoic acid methyl ester Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H20ClN3O4/c1-30-22(29)15-6-5-9-17(14-15)26-20(27)18(23)19(21(26)28)25-12-10-24(11-13-25)16-7-3-2-4-8-16/h2-9,14H,10-13H2,1H3