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

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(4-phenylpiperazino)ethyl] ester O1-methyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7/c1-30-20(26)15-11-16(13-18(12-15)24(28)29)21(27)31-14-19(25)23-9-7-22(8-10-23)17-5-3-2-4-6-17/h2-6,11-13H,7-10,14H2,1H3