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

Systemtic Name: 2-(3-nitro-2-propan-2-yl-phenyl)butanoic acid Openeye Name: 2-(2-isopropyl-3-nitro-phenyl)butanoic acid CAS Name: 2-(3-nitro-2-propan-2-ylphenyl)butanoic acid IUPAC Name: 2-(3-nitro-2-propan-2-ylphenyl)butanoic acid Traditional Name: 2-(2-isopropyl-3-nitro-phenyl)butyric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-4-9(13(15)16)10-6-5-7-11(14(17)18)12(10)8(2)3/h5-9H,4H2,1-3H3,(H,15,16)