2-(4-ethyl-5-nitro-2-propan-2-yl-phenyl)butanoic acid

Systemtic Name: 2-(4-ethyl-5-nitro-2-propan-2-yl-phenyl)butanoic acid Openeye Name: 2-(4-ethyl-2-isopropyl-5-nitro-phenyl)butanoic acid CAS Name: 2-(4-ethyl-5-nitro-2-propan-2-ylphenyl)butanoic acid IUPAC Name: 2-(4-ethyl-5-nitro-2-propan-2-ylphenyl)butanoic acid Traditional Name: 2-(4-ethyl-2-isopropyl-5-nitro-phenyl)butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(C)C)C(CC)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(C)C)C(CC)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO4/c1-5-10-7-12(9(3)4)13(8-14(10)16(19)20)11(6-2)15(17)18/h7-9,11H,5-6H2,1-4H3,(H,17,18)