1-dodecyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-4H-pyridine-3-carboxylate

Systemtic Name: 1-dodecyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyloxy)phenyl]-4H-pyridine-3-carboxylate Openeye Name: 1-dodecyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-4H-pyridine-3-carboxylate CAS Name: 1-dodecyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-4H-pyridine-3-carboxylate IUPAC Name: 1-dodecyl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-4H-pyridine-3-carboxylate Traditional Name: 1-lauryl-2,6-dimethyl-5-nitro-4-[2-(trifluoromethoxy)phenyl]-4H-pyridine-3-carboxylate Formula: C27H36F3N2O5- MolecularWeight: 525.58035

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C(C(=C1C)[N+](=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C(C(=C1C)[N+](=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(=O)[O-])C

InChI

InChI=1S/C27H37F3N2O5/c1-4-5-6-7-8-9-10-11-12-15-18-31-19(2)23(26(33)34)24(25(20(31)3)32(35)36)21-16-13-14-17-22(21)37-27(28,29)30/h13-14,16-17,24H,4-12,15,18H2,1-3H3,(H,33,34)/p-1