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

Systemtic Name: 2-(2-acetyloxyethanoyl)-3-(3-nitrophenyl)-4-oxidanylidene-hexanoic acid Openeye Name: 2-(2-acetoxyacetyl)-3-(3-nitrophenyl)-4-oxo-hexanoic acid CAS Name: 2-(2-acetyloxy-1-oxoethyl)-3-(3-nitrophenyl)-4-oxohexanoic acid IUPAC Name: 2-(2-acetyloxyacetyl)-3-(3-nitrophenyl)-4-oxohexanoic acid Traditional Name: 2-(2-acetoxyacetyl)-4-keto-3-(3-nitrophenyl)hexanoic acid Formula: C16H17NO8 MolecularWeight: 351.30808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO8/c1-3-12(19)14(10-5-4-6-11(7-10)17(23)24)15(16(21)22)13(20)8-25-9(2)18/h4-7,14-15H,3,8H2,1-2H3,(H,21,22)