4-(4-methoxy-3-nitro-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid

Systemtic Name: 4-(4-methoxy-3-nitro-phenyl)-4-methyl-2-oxidanyl-2-(trifluoromethyl)pentanoic acid Openeye Name: 2-hydroxy-4-(4-methoxy-3-nitro-phenyl)-4-methyl-2-(trifluoromethyl)pentanoic acid CAS Name: 2-hydroxy-4-(4-methoxy-3-nitrophenyl)-4-methyl-2-(trifluoromethyl)pentanoic acid IUPAC Name: 2-hydroxy-4-(4-methoxy-3-nitrophenyl)-4-methyl-2-(trifluoromethyl)pentanoic acid Traditional Name: 2-hydroxy-4-(4-methoxy-3-nitro-phenyl)-4-methyl-2-(trifluoromethyl)valeric acid Formula: C14H16F3NO6 MolecularWeight: 351.27515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(=O)O)(C(F)(F)F)O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC(C(=O)O)(C(F)(F)F)O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H16F3NO6/c1-12(2,7-13(21,11(19)20)14(15,16)17)8-4-5-10(24-3)9(6-8)18(22)23/h4-6,21H,7H2,1-3H3,(H,19,20)