O1-methyl O3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: 3-O-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(4-benzylpiperazino)-2-keto-ethyl] ester O1-methyl ester Formula: C22H23N3O7 MolecularWeight: 441.43392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O7/c1-31-21(27)17-11-18(13-19(12-17)25(29)30)22(28)32-15-20(26)24-9-7-23(8-10-24)14-16-5-3-2-4-6-16/h2-6,11-13H,7-10,14-15H2,1H3