4-tert-butyl-3-nitro-benzoic acid

Systemtic Name: 4-tert-butyl-3-nitro-benzoic acid Openeye Name: 4-tert-butyl-3-nitro-benzoic acid CAS Name: 4-tert-butyl-3-nitrobenzoic acid IUPAC Name: 4-tert-butyl-3-nitrobenzoic acid Traditional Name: 4-tert-butyl-3-nitro-benzoic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12(15)16/h4-6H,1-3H3,(H,13,14)