2-(4-methyl-3-nitro-2-propan-2-yl-phenyl)butanoic acid

Systemtic Name: 2-(4-methyl-3-nitro-2-propan-2-yl-phenyl)butanoic acid Openeye Name: 2-(2-isopropyl-4-methyl-3-nitro-phenyl)butanoic acid CAS Name: 2-(4-methyl-3-nitro-2-propan-2-ylphenyl)butanoic acid IUPAC Name: 2-(4-methyl-3-nitro-2-propan-2-ylphenyl)butanoic acid Traditional Name: 2-(2-isopropyl-4-methyl-3-nitro-phenyl)butyric acid Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C=C1)C)[N+](=O)[O-])C(C)C)C(=O)O

Isomeric SMILES

CCC(C1=C(C(=C(C=C1)C)[N+](=O)[O-])C(C)C)C(=O)O

InChI

InChI=1S/C14H19NO4/c1-5-10(14(16)17)11-7-6-9(4)13(15(18)19)12(11)8(2)3/h6-8,10H,5H2,1-4H3,(H,16,17)