4-methyl-2-[4-(4-nitro-3-oxidanyl-phenoxy)-3-propan-2-yl-phenyl]pentanoic acid

Systemtic Name: 4-methyl-2-[4-(4-nitro-3-oxidanyl-phenoxy)-3-propan-2-yl-phenyl]pentanoic acid Openeye Name: 2-[4-(3-hydroxy-4-nitro-phenoxy)-3-isopropyl-phenyl]-4-methyl-pentanoic acid CAS Name: 2-[4-(3-hydroxy-4-nitrophenoxy)-3-propan-2-ylphenyl]-4-methylpentanoic acid IUPAC Name: 2-[4-(3-hydroxy-4-nitrophenoxy)-3-propan-2-ylphenyl]-4-methylpentanoic acid Traditional Name: 2-[4-(3-hydroxy-4-nitro-phenoxy)-3-isopropyl-phenyl]-4-methyl-valeric acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])O)C(C)C)C(=O)O

Isomeric SMILES

CC(C)CC(C1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])O)C(C)C)C(=O)O

InChI

InChI=1S/C21H25NO6/c1-12(2)9-17(21(24)25)14-5-8-20(16(10-14)13(3)4)28-15-6-7-18(22(26)27)19(23)11-15/h5-8,10-13,17,23H,9H2,1-4H3,(H,24,25)