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2-(2-tert-butyl-5-nitro-phenyl)propanoic acid

2-(2-tert-butyl-5-nitro-phenyl)propanoic acid

Systemtic Name:2-(2-tert-butyl-5-nitro-phenyl)propanoic acid
Openeye Name:2-(2-tert-butyl-5-nitro-phenyl)propanoic acid
CAS Name:2-(2-tert-butyl-5-nitrophenyl)propanoic acid
IUPAC Name:2-(2-tert-butyl-5-nitrophenyl)propanoic acid
Traditional Name:2-(2-tert-butyl-5-nitro-phenyl)propionic acid
Formula: C13H17NO4
MolecularWeight: 251.27838
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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