2-(2,4-dimethyl-5-nitro-phenyl)butanoic acid

Systemtic Name: 2-(2,4-dimethyl-5-nitro-phenyl)butanoic acid Openeye Name: 2-(2,4-dimethyl-5-nitro-phenyl)butanoic acid CAS Name: 2-(2,4-dimethyl-5-nitrophenyl)butanoic acid IUPAC Name: 2-(2,4-dimethyl-5-nitrophenyl)butanoic acid Traditional Name: 2-(2,4-dimethyl-5-nitro-phenyl)butyric acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C1=CC(=C(C=C1C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C12H15NO4/c1-4-9(12(14)15)10-6-11(13(16)17)8(3)5-7(10)2/h5-6,9H,4H2,1-3H3,(H,14,15)