3-(5-chloranyl-2-nitro-phenyl)-2-ethanoyl-4-oxidanylidene-hexanoic acid

Systemtic Name: 3-(5-chloranyl-2-nitro-phenyl)-2-ethanoyl-4-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(5-chloro-2-nitro-phenyl)-4-oxo-hexanoic acid CAS Name: 2-acetyl-3-(5-chloro-2-nitrophenyl)-4-oxohexanoic acid IUPAC Name: 2-acetyl-3-(5-chloro-2-nitrophenyl)-4-oxohexanoic acid Traditional Name: 2-acetyl-3-(5-chloro-2-nitro-phenyl)-4-keto-hexanoic acid Formula: C14H14ClNO6 MolecularWeight: 327.71706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClNO6/c1-3-11(18)13(12(7(2)17)14(19)20)9-6-8(15)4-5-10(9)16(21)22/h4-6,12-13H,3H2,1-2H3,(H,19,20)