5-tert-butyl-2-methyl-4-nitro-benzoate

Systemtic Name: 5-tert-butyl-2-methyl-4-nitro-benzoate Openeye Name: 5-tert-butyl-2-methyl-4-nitro-benzoate CAS Name: 5-tert-butyl-2-methyl-4-nitrobenzoate IUPAC Name: 5-tert-butyl-2-methyl-4-nitrobenzoate Traditional Name: 5-tert-butyl-2-methyl-4-nitro-benzoate Formula: C12H14NO4- MolecularWeight: 236.24386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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