3-(3-nitrophenyl)-4-oxidanylidene-2-propanoyl-pentanoic acid

Systemtic Name: 3-(3-nitrophenyl)-4-oxidanylidene-2-propanoyl-pentanoic acid Openeye Name: 3-(3-nitrophenyl)-4-oxo-2-propanoyl-pentanoic acid CAS Name: 3-(3-nitrophenyl)-4-oxo-2-(1-oxopropyl)pentanoic acid IUPAC Name: 3-(3-nitrophenyl)-4-oxo-2-propanoylpentanoic acid Traditional Name: 4-keto-3-(3-nitrophenyl)-2-propionyl-valeric acid Formula: C14H15NO6 MolecularWeight: 293.272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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