4-nitrobenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol

Systemtic Name: 4-nitrobenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Openeye Name: 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol; 4-nitrobenzoic acid CAS Name: 4-nitrobenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol IUPAC Name: 4-nitrobenzoic acid; 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanol Traditional Name: 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethanol; 4-nitrobenzoic acid Formula: C19H21F3N2O5 MolecularWeight: 414.37565

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCO.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCO.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H16F3NO.C7H5NO4/c1-9(16-5-6-17)7-10-3-2-4-11(8-10)12(13,14)15;9-7(10)5-1-3-6(4-2-5)8(11)12/h2-4,8-9,16-17H,5-7H2,1H3;1-4H,(H,9,10)