diethyl 4-(4-methyl-3-nitro-phenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(4-methyl-3-nitro-phenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 1-isopropyl-4-(4-methyl-3-nitro-phenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(4-methyl-3-nitrophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(4-methyl-3-nitrophenyl)-1-propan-2-yl-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-isopropyl-4-(4-methyl-3-nitro-phenyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)OCC)C(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C=C(C1C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)OCC)C(C)C

InChI

InChI=1S/C21H26N2O6/c1-6-28-20(24)16-11-22(13(3)4)12-17(21(25)29-7-2)19(16)15-9-8-14(5)18(10-15)23(26)27/h8-13,19H,6-7H2,1-5H3