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

Systemtic Name: 2-ethanoyl-3-(2-nitrophenyl)-4-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(2-nitrophenyl)-4-oxo-hexanoic acid CAS Name: 2-acetyl-3-(2-nitrophenyl)-4-oxohexanoic acid IUPAC Name: 2-acetyl-3-(2-nitrophenyl)-4-oxohexanoic acid Traditional Name: 2-acetyl-4-keto-3-(2-nitrophenyl)hexanoic acid Formula: C14H15NO6 MolecularWeight: 293.272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6/c1-3-11(17)13(12(8(2)16)14(18)19)9-6-4-5-7-10(9)15(20)21/h4-7,12-13H,3H2,1-2H3,(H,18,19)