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

Systemtic Name: O3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester O1-methyl ester Formula: C21H24N2O8 MolecularWeight: 432.42386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O8/c1-12-6-18(14(3)22(12)13(2)10-29-4)19(24)11-31-21(26)16-7-15(20(25)30-5)8-17(9-16)23(27)28/h6-9,13H,10-11H2,1-5H3