dimethyl 5-[2-(3-oxidanylidenepiperazin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(3-oxidanylidenepiperazin-2-yl)ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(3-oxo-2-piperazinyl)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(3-ketopiperazin-2-yl)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CC2C(=O)NCCN2)C(=O)OC

InChI

InChI=1S/C16H19N3O6/c1-24-15(22)9-5-10(16(23)25-2)7-11(6-9)19-13(20)8-12-14(21)18-4-3-17-12/h5-7,12,17H,3-4,8H2,1-2H3,(H,18,21)(H,19,20)