2-(4-nitrophenyl)-2-pentanoyloxy-ethanoic acid

Systemtic Name: 2-(4-nitrophenyl)-2-pentanoyloxy-ethanoic acid Openeye Name: 2-(4-nitrophenyl)-2-pentanoyloxy-acetic acid CAS Name: 2-(4-nitrophenyl)-2-(1-oxopentoxy)acetic acid IUPAC Name: 2-(4-nitrophenyl)-2-pentanoyloxyacetic acid Traditional Name: 2-(4-nitrophenyl)-2-valeryloxy-acetic acid Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-2-3-4-11(15)20-12(13(16)17)9-5-7-10(8-6-9)14(18)19/h5-8,12H,2-4H2,1H3,(H,16,17)