dimethyl 1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O6/c1-32-23(28)20-13-26(25-10-15-6-16(11-25)8-17(7-15)12-25)14-21(24(29)33-2)22(20)18-4-3-5-19(9-18)27(30)31/h3-5,9,13-17,22H,6-8,10-12H2,1-2H3