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

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[4-[anilino(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[4-(phenylcarbamoyl)piperazino]ethyl] ester Formula: C23H24N4O8 MolecularWeight: 484.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O8/c1-2-34-21(29)16-12-17(14-19(13-16)27(32)33)22(30)35-15-20(28)25-8-10-26(11-9-25)23(31)24-18-6-4-3-5-7-18/h3-7,12-14H,2,8-11,15H2,1H3,(H,24,31)