dimethyl 5-[(4-methanoylpiperazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(4-methanoylpiperazin-1-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(4-formylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(4-formyl-1-piperazinyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(4-formylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(4-formylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)N2CCN(CC2)C=O)C(=O)OC

InChI

InChI=1S/C16H19N3O6/c1-24-14(21)11-7-12(15(22)25-2)9-13(8-11)17-16(23)19-5-3-18(10-20)4-6-19/h7-10H,3-6H2,1-2H3,(H,17,23)