O5-methyl O3-(oxolan-2-ylmethyl) 4-(4-chloranyl-3-nitro-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate

Systemtic Name: O5-methyl O3-(oxolan-2-ylmethyl) 4-(4-chloranyl-3-nitro-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate Openeye Name: O5-methyl O3-(tetrahydrofuran-2-ylmethyl) 4-(4-chloro-3-nitro-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid O5-methyl ester O3-(2-oxolanylmethyl) ester IUPAC Name: 5-O-methyl 3-O-(oxolan-2-ylmethyl) 4-(4-chloro-3-nitrophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-2,6-dimethyl-pyridine-3,5-dicarboxylic acid O5-methyl ester O3-(tetrahydrofurfuryl) ester Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3CCCO3

Isomeric SMILES

CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCC3CCCO3

InChI

InChI=1S/C21H21ClN2O7/c1-11-17(20(25)29-3)19(13-6-7-15(22)16(9-13)24(27)28)18(12(2)23-11)21(26)31-10-14-5-4-8-30-14/h6-7,9,14H,4-5,8,10H2,1-3H3