4-methyl-2-(2-nitro-1-phenyl-ethyl)-3-oxidanylidene-hexanoic acid

Systemtic Name: 4-methyl-2-(2-nitro-1-phenyl-ethyl)-3-oxidanylidene-hexanoic acid Openeye Name: 4-methyl-2-(2-nitro-1-phenyl-ethyl)-3-oxo-hexanoic acid CAS Name: 4-methyl-2-(2-nitro-1-phenylethyl)-3-oxohexanoic acid IUPAC Name: 4-methyl-2-(2-nitro-1-phenylethyl)-3-oxohexanoic acid Traditional Name: 3-keto-4-methyl-2-(2-nitro-1-phenyl-ethyl)hexanoic acid Formula: C15H19NO5 MolecularWeight: 293.31506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO5/c1-3-10(2)14(17)13(15(18)19)12(9-16(20)21)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H,18,19)