3-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[(4-ethyl-2,3-dioxo-piperazin-1-yl)methyl]benzoic acid CAS Name: 3-[(4-ethyl-2,3-dioxo-1-piperazinyl)methyl]benzoic acid IUPAC Name: 3-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]benzoic acid Traditional Name: 3-[(4-ethyl-2,3-diketo-piperazino)methyl]benzoic acid Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCN1CCN(C(=O)C1=O)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H16N2O4/c1-2-15-6-7-16(13(18)12(15)17)9-10-4-3-5-11(8-10)14(19)20/h3-5,8H,2,6-7,9H2,1H3,(H,19,20)