4-tert-butyl-2-methyl-5-nitro-benzoic acid

Systemtic Name: 4-tert-butyl-2-methyl-5-nitro-benzoic acid Openeye Name: 4-tert-butyl-2-methyl-5-nitro-benzoic acid CAS Name: 4-tert-butyl-2-methyl-5-nitrobenzoic acid IUPAC Name: 4-tert-butyl-2-methyl-5-nitrobenzoic acid Traditional Name: 4-tert-butyl-2-methyl-5-nitro-benzoic acid Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C12H15NO4/c1-7-5-9(12(2,3)4)10(13(16)17)6-8(7)11(14)15/h5-6H,1-4H3,(H,14,15)