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

Systemtic Name: O1-ethyl O3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C20H22N2O7/c1-5-21-12(3)7-17(13(21)4)18(23)11-29-20(25)15-8-14(19(24)28-6-2)9-16(10-15)22(26)27/h7-10H,5-6,11H2,1-4H3