2,4,4-trimethylpentyl 5-nitro-2-oxidanyl-benzoate

Systemtic Name: 2,4,4-trimethylpentyl 5-nitro-2-oxidanyl-benzoate Openeye Name: 2,4,4-trimethylpentyl 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid 2,4,4-trimethylpentyl ester IUPAC Name: 2,4,4-trimethylpentyl 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid 2,4,4-trimethylpentyl ester Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5/c1-10(8-15(2,3)4)9-21-14(18)12-7-11(16(19)20)5-6-13(12)17/h5-7,10,17H,8-9H2,1-4H3