O5-methyl O3-[(5-oxidanylideneoxolan-2-yl)methyl] 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate

Systemtic Name: O5-methyl O3-[(5-oxidanylideneoxolan-2-yl)methyl] 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate Openeye Name: O5-methyl O3-[(5-oxotetrahydrofuran-2-yl)methyl] 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylic acid O5-methyl ester O3-[(5-oxo-2-oxolanyl)methyl] ester IUPAC Name: 5-O-methyl 3-O-[(5-oxooxolan-2-yl)methyl] 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)pyridine-3,5-dicarboxylic acid O3-[(5-ketotetrahydrofuran-2-yl)methyl] ester O5-methyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3CCC(=O)O3

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC3CCC(=O)O3

InChI

InChI=1S/C21H20N2O8/c1-11-17(20(25)29-3)19(14-6-4-5-7-15(14)23(27)28)18(12(2)22-11)21(26)30-10-13-8-9-16(24)31-13/h4-7,13H,8-10H2,1-3H3