methyl 3-tert-butyl-5-nitro-2-oxidanyl-benzoate

Systemtic Name: methyl 3-tert-butyl-5-nitro-2-oxidanyl-benzoate Openeye Name: methyl 3-tert-butyl-2-hydroxy-5-nitro-benzoate CAS Name: 3-tert-butyl-2-hydroxy-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-tert-butyl-2-hydroxy-5-nitrobenzoate Traditional Name: 3-tert-butyl-2-hydroxy-5-nitro-benzoic acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-12(2,3)9-6-7(13(16)17)5-8(10(9)14)11(15)18-4/h5-6,14H,1-4H3