2-[4-(2-methylbutan-2-yl)-2-nitro-phenoxy]ethanol

Systemtic Name: 2-[4-(2-methylbutan-2-yl)-2-nitro-phenoxy]ethanol Openeye Name: 2-[4-(1,1-dimethylpropyl)-2-nitro-phenoxy]ethanol CAS Name: 2-[4-(2-methylbutan-2-yl)-2-nitrophenoxy]ethanol IUPAC Name: 2-[4-(2-methylbutan-2-yl)-2-nitrophenoxy]ethanol Traditional Name: 2-(4-tert-amyl-2-nitro-phenoxy)ethanol Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-4-13(2,3)10-5-6-12(18-8-7-15)11(9-10)14(16)17/h5-6,9,15H,4,7-8H2,1-3H3