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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O7/c1-2-31-21(27)16-12-17(14-19(13-16)25(29)30)22(28)32-15-20(26)24-10-8-23(9-11-24)18-6-4-3-5-7-18/h3-7,12-14H,2,8-11,15H2,1H3