2-[2-(4-nitrophenyl)ethyl]pentanoic acid

Systemtic Name: 2-[2-(4-nitrophenyl)ethyl]pentanoic acid Openeye Name: 2-[2-(4-nitrophenyl)ethyl]pentanoic acid CAS Name: 2-[2-(4-nitrophenyl)ethyl]pentanoic acid IUPAC Name: 2-[2-(4-nitrophenyl)ethyl]pentanoic acid Traditional Name: 2-[2-(4-nitrophenyl)ethyl]valeric acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCCC(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H17NO4/c1-2-3-11(13(15)16)7-4-10-5-8-12(9-6-10)14(17)18/h5-6,8-9,11H,2-4,7H2,1H3,(H,15,16)