4-cyano-4-(4-nitrophenyl)hexanoic acid

Systemtic Name: 4-cyano-4-(4-nitrophenyl)hexanoic acid Openeye Name: 4-cyano-4-(4-nitrophenyl)hexanoic acid CAS Name: 4-cyano-4-(4-nitrophenyl)hexanoic acid IUPAC Name: 4-cyano-4-(4-nitrophenyl)hexanoic acid Traditional Name: 4-cyano-4-(4-nitrophenyl)hexanoic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4/c1-2-13(9-14,8-7-12(16)17)10-3-5-11(6-4-10)15(18)19/h3-6H,2,7-8H2,1H3,(H,16,17)