2-(4-cyclohexyl-3-nitro-phenyl)butanoic acid

Systemtic Name: 2-(4-cyclohexyl-3-nitro-phenyl)butanoic acid Openeye Name: 2-(4-cyclohexyl-3-nitro-phenyl)butanoic acid CAS Name: 2-(4-cyclohexyl-3-nitrophenyl)butanoic acid IUPAC Name: 2-(4-cyclohexyl-3-nitrophenyl)butanoic acid Traditional Name: 2-(4-cyclohexyl-3-nitro-phenyl)butyric acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=C(C=C1)C2CCCCC2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC(C1=CC(=C(C=C1)C2CCCCC2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H21NO4/c1-2-13(16(18)19)12-8-9-14(15(10-12)17(20)21)11-6-4-3-5-7-11/h8-11,13H,2-7H2,1H3,(H,18,19)