2-nitro-2-(phenylcarbonyl)pentanoic acid

Systemtic Name: 2-nitro-2-(phenylcarbonyl)pentanoic acid Openeye Name: 2-benzoyl-2-nitro-pentanoic acid CAS Name: 2-benzoyl-2-nitropentanoic acid IUPAC Name: 2-benzoyl-2-nitropentanoic acid Traditional Name: 2-benzoyl-2-nitro-valeric acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-2-8-12(11(15)16,13(17)18)10(14)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,16)