3-[3-(4-methylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 3-[3-(4-methylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid Openeye Name: 3-[3-(4-methylpiperazin-1-yl)-2,5-dioxo-pyrrolidin-1-yl]benzoic acid CAS Name: 3-[3-(4-methyl-1-piperazinyl)-2,5-dioxo-1-pyrrolidinyl]benzoic acid IUPAC Name: 3-[3-(4-methylpiperazin-1-yl)-2,5-dioxopyrrolidin-1-yl]benzoic acid Traditional Name: 3-[2,5-diketo-3-(4-methylpiperazino)pyrrolidino]benzoic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H19N3O4/c1-17-5-7-18(8-6-17)13-10-14(20)19(15(13)21)12-4-2-3-11(9-12)16(22)23/h2-4,9,13H,5-8,10H2,1H3,(H,22,23)