dimethyl 4-(4-chloranyl-3-nitro-phenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(4-chloranyl-3-nitro-phenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(4-chloro-3-nitro-phenyl)-1-(tetrahydrofuran-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(4-chloro-3-nitrophenyl)-1-(2-oxolanylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(4-chloro-3-nitrophenyl)-1-(oxolan-2-ylmethyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(4-chloro-3-nitro-phenyl)-1-(tetrahydrofurfuryl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C20H21ClN2O7 MolecularWeight: 436.84294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC)CC3CCCO3

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC)CC3CCCO3

InChI

InChI=1S/C20H21ClN2O7/c1-28-19(24)14-10-22(9-13-4-3-7-30-13)11-15(20(25)29-2)18(14)12-5-6-16(21)17(8-12)23(26)27/h5-6,8,10-11,13,18H,3-4,7,9H2,1-2H3