2-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-hexanoic acid

Systemtic Name: 2-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-hexanoic acid Openeye Name: 2-acetyl-4-hydroxy-2-(3-nitrophenyl)hexanoic acid CAS Name: 2-acetyl-4-hydroxy-2-(3-nitrophenyl)hexanoic acid IUPAC Name: 2-acetyl-4-hydroxy-2-(3-nitrophenyl)hexanoic acid Traditional Name: 2-acetyl-4-hydroxy-2-(3-nitrophenyl)hexanoic acid Formula: C14H17NO6 MolecularWeight: 295.28788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6/c1-3-12(17)8-14(9(2)16,13(18)19)10-5-4-6-11(7-10)15(20)21/h4-7,12,17H,3,8H2,1-2H3,(H,18,19)