O1-ethyl O3-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C23H25N3O7 MolecularWeight: 455.4605

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O7/c1-2-32-22(28)16-12-17(14-20(13-16)26(30)31)23(29)33-15-21(27)24-18-6-8-19(9-7-18)25-10-4-3-5-11-25/h6-9,12-14H,2-5,10-11,15H2,1H3,(H,24,27)