methyl 2-tert-butyl-3-nitro-4-oxidanyl-benzoate

Systemtic Name: methyl 2-tert-butyl-3-nitro-4-oxidanyl-benzoate Openeye Name: methyl 2-tert-butyl-4-hydroxy-3-nitro-benzoate CAS Name: 2-tert-butyl-4-hydroxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-tert-butyl-4-hydroxy-3-nitrobenzoate Traditional Name: 2-tert-butyl-4-hydroxy-3-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-])O)C(=O)OC

Isomeric SMILES

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

InChI

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