1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-nitro-butan-1-ol

Systemtic Name: 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-nitro-butan-1-ol Openeye Name: 1-[2,8-bis(trifluoromethyl)-4-quinolyl]-3-nitro-butan-1-ol CAS Name: 1-[2,8-bis(trifluoromethyl)-4-quinolinyl]-3-nitro-1-butanol IUPAC Name: 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-3-nitrobutan-1-ol Traditional Name: 1-[2,8-bis(trifluoromethyl)-4-quinolyl]-3-nitro-butan-1-ol Formula: C15H12F6N2O3 MolecularWeight: 382.257799

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O)[N+](=O)[O-]

Isomeric SMILES

CC(CC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O)[N+](=O)[O-]

InChI

InChI=1S/C15H12F6N2O3/c1-7(23(25)26)5-11(24)9-6-12(15(19,20)21)22-13-8(9)3-2-4-10(13)14(16,17)18/h2-4,6-7,11,24H,5H2,1H3