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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester O1-methyl ester Formula: C20H20N4O7 MolecularWeight: 428.3954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C20H20N4O7/c1-30-19(26)14-10-15(12-16(11-14)24(28)29)20(27)31-13-18(25)23-8-6-22(7-9-23)17-4-2-3-5-21-17/h2-5,10-12H,6-9,13H2,1H3