3,3-dimethylbutyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: 3,3-dimethylbutyl 5-nitro-2-oxidanyl-benzoate Openeye Name: 3,3-dimethylbutyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid 3,3-dimethylbutyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5/c1-13(2,3)6-7-19-12(16)10-8-9(14(17)18)4-5-11(10)15/h4-5,8,15H,6-7H2,1-3H3