ethanedioic acid; 2-[(2-fluoranyl-5-nitro-phenyl)methyl-propan-2-yl-amino]ethanol

Systemtic Name: ethanedioic acid; 2-[(2-fluoranyl-5-nitro-phenyl)methyl-propan-2-yl-amino]ethanol Openeye Name: 2-[(2-fluoro-5-nitro-phenyl)methyl-isopropyl-amino]ethanol; oxalic acid CAS Name: 2-[(2-fluoro-5-nitrophenyl)methyl-propan-2-ylamino]ethanol; oxalic acid IUPAC Name: 2-[(2-fluoro-5-nitrophenyl)methyl-propan-2-ylamino]ethanol; oxalic acid Traditional Name: 2-[(2-fluoro-5-nitro-benzyl)-isopropyl-amino]ethanol; oxalic acid Formula: C14H19FN2O7 MolecularWeight: 346.308263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17FN2O3.C2H2O4/c1-9(2)14(5-6-16)8-10-7-11(15(17)18)3-4-12(10)13;3-1(4)2(5)6/h3-4,7,9,16H,5-6,8H2,1-2H3;(H,3,4)(H,5,6)