O3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester O1-ethyl ester IUPAC Name: 3-O-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester O1-ethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C21H24N2O7/c1-5-7-22-13(3)8-18(14(22)4)19(24)12-30-21(26)16-9-15(20(25)29-6-2)10-17(11-16)23(27)28/h8-11H,5-7,12H2,1-4H3