3-(3-tert-butyl-5-nitro-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 3-(3-tert-butyl-5-nitro-4-oxidanyl-phenyl)propanoic acid Openeye Name: 3-(3-tert-butyl-4-hydroxy-5-nitro-phenyl)propanoic acid CAS Name: 3-(3-tert-butyl-4-hydroxy-5-nitrophenyl)propanoic acid IUPAC Name: 3-(3-tert-butyl-4-hydroxy-5-nitrophenyl)propanoic acid Traditional Name: 3-(3-tert-butyl-4-hydroxy-5-nitro-phenyl)propionic acid Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-13(2,3)9-6-8(4-5-11(15)16)7-10(12(9)17)14(18)19/h6-7,17H,4-5H2,1-3H3,(H,15,16)