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

Systemtic Name: O3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester O1-methyl ester Formula: C22H23N3O8 MolecularWeight: 457.43332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O8/c1-31-19-5-3-17(4-6-19)23-7-9-24(10-8-23)20(26)14-33-22(28)16-11-15(21(27)32-2)12-18(13-16)25(29)30/h3-6,11-13H,7-10,14H2,1-2H3